2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene

C52H47N — CID 144810428

IUPAC2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene
SMILESCc1ccc(C2=CCC3C(=C2)N(c2cccc4ccccc24)c2ccccc23)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1
InChIInChI=1S/C29H23N.C16H16.C7H8/c1-20-13-15-21(16-14-20)23-17-18-26-25-10-4-5-11-28(25)30(29(26)19-23)27-12-6-8-22-7-2-3-9-24(22)27;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-7-5-3-2-4-6-7/h2-17,19,26H,18H2,1H3;4-10H,1-3H3;2-6H,1H3
InChIKeyGSJMRHPFJLKDOV-UHFFFAOYSA-N
MW685.96 g/mol
LogP14.05
Rot. Bonds2

About 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene

2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene (PubChem CID 144810428) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene
PubChem CID144810428
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC Name2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene
SMILESCc1ccc(C2=CCC3C(=C2)N(c2cccc4ccccc24)c2ccccc23)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1
InChIInChI=1S/C29H23N.C16H16.C7H8/c1-20-13-15-21(16-14-20)23-17-18-26-25-10-4-5-11-28(25)30(29(26)19-23)27-12-6-8-22-7-2-3-9-24(22)27;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-7-5-3-2-4-6-7/h2-17,19,26H,18H2,1H3;4-10H,1-3H3;2-6H,1H3
InChIKeyGSJMRHPFJLKDOV-UHFFFAOYSA-N
XLogP14.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
CID 146364509
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-2-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 158198478
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
5-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-6-(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-2-yl]-10-methylphenazine;5-[9-(3,5-dimethylphenyl)-6-(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-2-yl]-10-methylphenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracen-2-yl]phenazine
CID 160575581
9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
CID 158039423
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene
CID 144930884
CID 142294433
CID 142294433
9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
CID 144639950
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene?
The IUPAC name of 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene (CID 144810428) is 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene.
What is the SMILES notation for 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene?
The canonical SMILES for 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene is Cc1ccc(C2=CCC3C(=C2)N(c2cccc4ccccc24)c2ccccc23)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1.
What is the InChIKey of 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene?
The InChIKey is GSJMRHPFJLKDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N.C16H16.C7H8/c1-20-13-15-21(16-14-20)23-17-18-26-25-10-4-5-11-28(25)30(29(26)19-23)27-12-6-8-22-7-2-3-9-24(22)27;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-7-5-3-2-4-6-7/h2-17,19,26H,18H2,1H3;4-10H,1-3H3;2-6H,1H3.
What are the key properties of 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene?
2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene has a molecular weight of 685.96 g/mol, XLogP of 14.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-9-naphthalen-1-yl-4,4a-dihydrocarbazole;toluene;3,9,9-trimethylfluorene is sourced from PubChem (CID 144810428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).