8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole

C51H34N2 — CID 146360933

IUPAC8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESC1=Cc2c(c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c2-c2ccc3ccccc3c2)CC1
InChIInChI=1S/C51H34N2/c1-2-14-41(15-3-1)53-48-25-23-38(30-45(48)47-32-52-27-26-49(47)53)37-22-24-44-46(31-37)51(40-21-19-34-11-5-7-13-36(34)29-40)43-17-9-8-16-42(43)50(44)39-20-18-33-10-4-6-12-35(33)28-39/h1-7,9-15,17-32H,8,16H2
InChIKeySFMITOGTJKGCLR-UHFFFAOYSA-N
MW674.85 g/mol
LogP13.60
Rot. Bonds4

About 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole

8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (PubChem CID 146360933) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
PubChem CID146360933
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESC1=Cc2c(c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c2-c2ccc3ccccc3c2)CC1
InChIInChI=1S/C51H34N2/c1-2-14-41(15-3-1)53-48-25-23-38(30-45(48)47-32-52-27-26-49(47)53)37-22-24-44-46(31-37)51(40-21-19-34-11-5-7-13-36(34)29-40)43-17-9-8-16-42(43)50(44)39-20-18-33-10-4-6-12-35(33)28-39/h1-7,9-15,17-32H,8,16H2
InChIKeySFMITOGTJKGCLR-UHFFFAOYSA-N
XLogP13.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole with MolForge

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Related Compounds

8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 88886632
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 130449633
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
8-[4-[6-naphthalen-2-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 118968771
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777

Frequently Asked Questions

What is the IUPAC name of 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (CID 146360933) is 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is C1=Cc2c(c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c2-c2ccc3ccccc3c2)CC1.
What is the InChIKey of 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The InChIKey is SFMITOGTJKGCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-2-14-41(15-3-1)53-48-25-23-38(30-45(48)47-32-52-27-26-49(47)53)37-22-24-44-46(31-37)51(40-21-19-34-11-5-7-13-36(34)29-40)43-17-9-8-16-42(43)50(44)39-20-18-33-10-4-6-12-35(33)28-39/h1-7,9-15,17-32H,8,16H2.
What are the key properties of 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole has a molecular weight of 674.85 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 146360933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).