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

C51H34N2 — CID 146427818

IUPAC8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESC1=CC2=C(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc3C(c3ccc4ccccc4c3)C2C=C1
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/h1-32,42,50H
InChIKeyOMGHDYJZQHVUBQ-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.84
Rot. Bonds4

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

8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (PubChem CID 146427818) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
PubChem CID146427818
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
SMILESC1=CC2=C(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc3C(c3ccc4ccccc4c3)C2C=C1
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/h1-32,42,50H
InChIKeyOMGHDYJZQHVUBQ-UHFFFAOYSA-N
XLogP12.84
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 ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-[3-(10-naphthalen-2-yl-8a,9-dihydroanthracen-9-yl)-5-phenylphenyl]-1-phenyl-2-[(Z)-prop-1-enyl]indol-3-amine
CID 137466977
8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 130449633
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
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
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
CID 177074748
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803
12-[4-(6-methyl-10-phenyl-4a,10-dihydroanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163454620
N-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-amine
CID 143613415

Frequently Asked Questions

What is the IUPAC name of 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole (CID 146427818) is 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is C1=CC2=C(c3ccc4ccccc4c3)c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)ccc3C(c3ccc4ccccc4c3)C2C=C1.
What is the InChIKey of 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
The InChIKey is OMGHDYJZQHVUBQ-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/h1-32,42,50H.
What are the key properties of 8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole?
8-(9,10-dinaphthalen-2-yl-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole has a molecular weight of 674.85 g/mol, XLogP of 12.84, 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-10,10a-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 146427818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).