7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene

C139H88 — CID 158903518

IUPAC7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)cc21.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc5ccccc5c34)cc12
InChIInChI=1S/C47H32.2C46H28/c1-47(2)42-18-10-9-15-36(42)37-25-24-33(28-43(37)47)44-38-16-7-8-17-39(38)45(46-35-14-6-4-12-30(35)23-26-40(44)46)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32;1-4-14-34-29(11-1)21-22-31-23-24-33(28-42(31)34)44-39-19-9-10-20-40(39)45(41-26-25-30-12-2-6-16-36(30)46(41)44)43-27-32-13-3-5-15-35(32)37-17-7-8-18-38(37)43;1-4-12-36-29(9-1)19-21-33-27-34(24-25-38(33)36)44-40-15-7-8-16-41(40)45(46-39-14-6-3-11-31(39)23-26-42(44)46)35-22-20-32-18-17-30-10-2-5-13-37(30)43(32)28-35/h3-28H,1-2H3;2*1-28H
InChIKeyJFTARRFZTFBNTN-UHFFFAOYSA-N
MW1758.23 g/mol
LogP39.28
Rot. Bonds6

About 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene

7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene (PubChem CID 158903518) has the molecular formula C139H88 and a molecular weight of 1758.23 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene.

Molecular Properties

Compound Name7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
PubChem CID158903518
Molecular FormulaC139H88
Molecular Weight1758.23 g/mol
Exact Mass1756.69
IUPAC Name7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)cc21.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc5ccccc5c34)cc12
InChIInChI=1S/C47H32.2C46H28/c1-47(2)42-18-10-9-15-36(42)37-25-24-33(28-43(37)47)44-38-16-7-8-17-39(38)45(46-35-14-6-4-12-30(35)23-26-40(44)46)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32;1-4-14-34-29(11-1)21-22-31-23-24-33(28-42(31)34)44-39-19-9-10-20-40(39)45(41-26-25-30-12-2-6-16-36(30)46(41)44)43-27-32-13-3-5-15-35(32)37-17-7-8-18-38(37)43;1-4-12-36-29(9-1)19-21-33-27-34(24-25-38(33)36)44-40-15-7-8-16-41(40)45(46-39-14-6-3-11-31(39)23-26-42(44)46)35-22-20-32-18-17-30-10-2-5-13-37(30)43(32)28-35/h3-28H,1-2H3;2*1-28H
InChIKeyJFTARRFZTFBNTN-UHFFFAOYSA-N
XLogP39.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001758.23
LogP ≤ 539.28
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 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene with MolForge

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Related Compounds

7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-2-ylbenzo[a]anthracene
CID 58535895
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
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
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenylanthracene
CID 159919561
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
2,10-bis(9,9-dimethylfluoren-2-yl)-9-(3-naphthalen-2-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 162026897
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
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159206127

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene?
The IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene (CID 158903518) is 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene.
What is the SMILES notation for 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene?
The canonical SMILES for 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)cc21.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4c3ccc3ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc5ccccc5c34)cc12.
What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene?
The InChIKey is JFTARRFZTFBNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32.2C46H28/c1-47(2)42-18-10-9-15-36(42)37-25-24-33(28-43(37)47)44-38-16-7-8-17-39(38)45(46-35-14-6-4-12-30(35)23-26-40(44)46)32-22-21-31-20-19-29-11-3-5-13-34(29)41(31)27-32;1-4-14-34-29(11-1)21-22-31-23-24-33(28-42(31)34)44-39-19-9-10-20-40(39)45(41-26-25-30-12-2-6-16-36(30)46(41)44)43-27-32-13-3-5-15-35(32)37-17-7-8-18-38(37)43;1-4-12-36-29(9-1)19-21-33-27-34(24-25-38(33)36)44-40-15-7-8-16-41(40)45(46-39-14-6-3-11-31(39)23-26-42(44)46)35-22-20-32-18-17-30-10-2-5-13-37(30)43(32)28-35/h3-28H,1-2H3;2*1-28H.
What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene?
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene has a molecular weight of 1758.23 g/mol, XLogP of 39.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-3-ylbenzo[a]anthracene;7-phenanthren-2-yl-12-phenanthren-3-ylbenzo[a]anthracene;12-phenanthren-3-yl-7-phenanthren-9-ylbenzo[a]anthracene is sourced from PubChem (CID 158903518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).