10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene

C247H158 — CID 158578384

IUPAC10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccccc5)ccc34)cc21.c1ccc(-c2ccc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1
InChIInChI=1S/2C52H30.2C51H34.C41H30/c1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33)40-17-7-6-16-39(40)51(46)45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42;1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42)40-17-7-6-16-39(40)51(46)44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(44-26-23-32(29-45(44)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-41(2)37-20-12-11-17-31(37)32-23-22-30(26-38(32)41)40-34-19-10-9-18-33(34)39(28-15-7-4-8-16-28)36-25-29(21-24-35(36)40)27-13-5-3-6-14-27/h2*1-30H;2*3-30H,1-2H3;3-26H,1-2H3
InChIKeyHSYGHYQYHNZTJX-UHFFFAOYSA-N
MW3125.98 g/mol
LogP68.89
Rot. Bonds15

About 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene

10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene (PubChem CID 158578384) has the molecular formula C247H158 and a molecular weight of 3125.98 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
PubChem CID158578384
Molecular FormulaC247H158
Molecular Weight3125.98 g/mol
Exact Mass3123.24
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccccc5)ccc34)cc21.c1ccc(-c2ccc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1
InChIInChI=1S/2C52H30.2C51H34.C41H30/c1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33)40-17-7-6-16-39(40)51(46)45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42;1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42)40-17-7-6-16-39(40)51(46)44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(44-26-23-32(29-45(44)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-41(2)37-20-12-11-17-31(37)32-23-22-30(26-38(32)41)40-34-19-10-9-18-33(34)39(28-15-7-4-8-16-28)36-25-29(21-24-35(36)40)27-13-5-3-6-14-27/h2*1-30H;2*3-30H,1-2H3;3-26H,1-2H3
InChIKeyHSYGHYQYHNZTJX-UHFFFAOYSA-N
XLogP68.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms247
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003125.98
LogP ≤ 568.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene with MolForge

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Related Compounds

3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis(4-phenylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;1-(10-phenylanthracen-9-yl)pyrene;2-(10-phenylanthracen-9-yl)triphenylene;9-phenyl-10-(4-phenylphenyl)anthracene
CID 164965575
14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 158473087
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
2-[14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-9,9'-spirobi[fluorene];14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-(2-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-(9,9-dimethylfluoren-2-yl)-14,21-di(fluoranthen-3-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7,14,21-tri(fluoranthen-3-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 157179429
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene (CID 158578384) is 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccccc5)ccc34)cc21.c1ccc(-c2ccc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene?
The InChIKey is HSYGHYQYHNZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H30.2C51H34.C41H30/c1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33)40-17-7-6-16-39(40)51(46)45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42;1-2-10-31(11-3-1)35-24-27-46-47(30-35)52(45-29-28-42-37-15-5-4-14-36(37)38-18-9-19-41(45)50(38)42)40-17-7-6-16-39(40)51(46)44-26-23-34-21-20-32-12-8-13-33-22-25-43(44)49(34)48(32)33;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(44-26-23-32(29-45(44)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42;1-41(2)37-20-12-11-17-31(37)32-23-22-30(26-38(32)41)40-34-19-10-9-18-33(34)39(28-15-7-4-8-16-28)36-25-29(21-24-35(36)40)27-13-5-3-6-14-27/h2*1-30H;2*3-30H,1-2H3;3-26H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene?
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene has a molecular weight of 3125.98 g/mol, XLogP of 68.89, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene is sourced from PubChem (CID 158578384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).