9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole

C153H104N2 — CID 160899011

IUPAC9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole
SMILESCCC1(CC)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5n(-c5ccccc5)c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C70H45N.C49H37N.C34H22/c1-4-22-46(23-5-1)51-28-10-12-30-55(51)69-61-36-18-14-32-57(61)67(58-33-15-19-37-62(58)69)48-40-42-53-54-43-41-49(45-66(54)71(65(53)44-48)50-26-8-3-9-27-50)68-59-34-16-20-38-63(59)70(64-39-21-17-35-60(64)68)56-31-13-11-29-52(56)47-24-6-2-7-25-47;1-3-49(4-2)43-30-33(48-41-22-10-8-20-39(41)47(32-16-6-5-7-17-32)40-21-9-11-23-42(40)48)26-28-35(43)36-29-27-34(31-44(36)49)50-45-24-14-12-18-37(45)38-19-13-15-25-46(38)50;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-45H;5-31H,3-4H2,1-2H3;1-22H
InChIKeySPGGEMZZSDSNLT-UHFFFAOYSA-N
MW1970.53 g/mol
LogP42.54
Rot. Bonds14

About 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole

9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole (PubChem CID 160899011) has the molecular formula C153H104N2 and a molecular weight of 1970.53 g/mol. Its IUPAC name is 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole
PubChem CID160899011
Molecular FormulaC153H104N2
Molecular Weight1970.53 g/mol
Exact Mass1968.82
IUPAC Name9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole
SMILESCCC1(CC)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5n(-c5ccccc5)c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C70H45N.C49H37N.C34H22/c1-4-22-46(23-5-1)51-28-10-12-30-55(51)69-61-36-18-14-32-57(61)67(58-33-15-19-37-62(58)69)48-40-42-53-54-43-41-49(45-66(54)71(65(53)44-48)50-26-8-3-9-27-50)68-59-34-16-20-38-63(59)70(64-39-21-17-35-60(64)68)56-31-13-11-29-52(56)47-24-6-2-7-25-47;1-3-49(4-2)43-30-33(48-41-22-10-8-20-39(41)47(32-16-6-5-7-17-32)40-21-9-11-23-42(40)48)26-28-35(43)36-29-27-34(31-44(36)49)50-45-24-14-12-18-37(45)38-19-13-15-25-46(38)50;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-45H;5-31H,3-4H2,1-2H3;1-22H
InChIKeySPGGEMZZSDSNLT-UHFFFAOYSA-N
XLogP42.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.53
LogP ≤ 542.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole
CID 164740453
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 123489524
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161280672
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene;9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-(2-naphthalen-2-ylphenyl)anthracene;3-(10-naphthalen-2-ylanthracen-9-yl)-9-phenylcarbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 158112140

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole?
The IUPAC name of 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole (CID 160899011) is 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole is CCC1(CC)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5n(-c5ccccc5)c4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole?
The InChIKey is SPGGEMZZSDSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N.C49H37N.C34H22/c1-4-22-46(23-5-1)51-28-10-12-30-55(51)69-61-36-18-14-32-57(61)67(58-33-15-19-37-62(58)69)48-40-42-53-54-43-41-49(45-66(54)71(65(53)44-48)50-26-8-3-9-27-50)68-59-34-16-20-38-63(59)70(64-39-21-17-35-60(64)68)56-31-13-11-29-52(56)47-24-6-2-7-25-47;1-3-49(4-2)43-30-33(48-41-22-10-8-20-39(41)47(32-16-6-5-7-17-32)40-21-9-11-23-42(40)48)26-28-35(43)36-29-27-34(31-44(36)49)50-45-24-14-12-18-37(45)38-19-13-15-25-46(38)50;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-45H;5-31H,3-4H2,1-2H3;1-22H.
What are the key properties of 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole?
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole has a molecular weight of 1970.53 g/mol, XLogP of 42.54, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]carbazole;9,10-dinaphthalen-1-ylanthracene;9-phenyl-2,7-bis[10-(2-phenylphenyl)anthracen-9-yl]carbazole is sourced from PubChem (CID 160899011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).