1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole

C38H27N — CID 58536037

IUPAC1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
SMILESCc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2cc3ccc(-c4ccc5ccccc5c4)cc3cc12
InChIInChI=1S/C38H27N/c1-24-25(2)39(36-16-15-32-18-28-9-5-6-10-29(28)19-34(32)21-36)38-23-33-14-13-31(20-35(33)22-37(24)38)30-12-11-26-7-3-4-8-27(26)17-30/h3-23H,1-2H3
InChIKeyYHDBOEYOKMRTAK-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.53
Rot. Bonds2

About 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole

1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole (PubChem CID 58536037) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole.

Molecular Properties

Compound Name1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
PubChem CID58536037
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
SMILESCc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2cc3ccc(-c4ccc5ccccc5c4)cc3cc12
InChIInChI=1S/C38H27N/c1-24-25(2)39(36-16-15-32-18-28-9-5-6-10-29(28)19-34(32)21-36)38-23-33-14-13-31(20-35(33)22-37(24)38)30-12-11-26-7-3-4-8-27(26)17-30/h3-23H,1-2H3
InChIKeyYHDBOEYOKMRTAK-UHFFFAOYSA-N
XLogP10.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,12-ditert-butyl-7,8,17,18-tetramethyl-6,16-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58131780
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833
3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
CID 58175201
5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
CID 58161270
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 59184250
N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
CID 146573842
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole?
The IUPAC name of 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole (CID 58536037) is 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole.
What is the SMILES notation for 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole?
The canonical SMILES for 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole is Cc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2cc3ccc(-c4ccc5ccccc5c4)cc3cc12.
What is the InChIKey of 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole?
The InChIKey is YHDBOEYOKMRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-24-25(2)39(36-16-15-32-18-28-9-5-6-10-29(28)19-34(32)21-36)38-23-33-14-13-31(20-35(33)22-37(24)38)30-12-11-26-7-3-4-8-27(26)17-30/h3-23H,1-2H3.
What are the key properties of 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole?
1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole has a molecular weight of 497.64 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole is sourced from PubChem (CID 58536037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).