8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole

C55H40N2 — CID 88886632

IUPAC8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C55H40N2/c1-55(2,3)43-24-25-47-49(33-43)54(42-21-17-35-11-7-8-12-36(35)30-42)46-16-10-9-15-45(46)53(47)41-22-20-37-29-38(18-19-39(37)31-41)40-23-26-51-48(32-40)50-34-56-28-27-52(50)57(51)44-13-5-4-6-14-44/h4-34H,1-3H3
InChIKeyXQLDTMXLWALRBO-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.09
Rot. Bonds4

About 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole

8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 88886632) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID88886632
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C55H40N2/c1-55(2,3)43-24-25-47-49(33-43)54(42-21-17-35-11-7-8-12-36(35)30-42)46-16-10-9-15-45(46)53(47)41-22-20-37-29-38(18-19-39(37)31-41)40-23-26-51-48(32-40)50-34-56-28-27-52(50)57(51)44-13-5-4-6-14-44/h4-34H,1-3H3
InChIKeyXQLDTMXLWALRBO-UHFFFAOYSA-N
XLogP15.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-[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-[6-[4-tert-butyl-6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-5-phenylpyrido[4,3-b]indole
CID 88886649
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
8-[10-(4a,8a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 130449633
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691

Frequently Asked Questions

What is the IUPAC name of 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole (CID 88886632) is 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole is CC(C)(C)c1ccc2c(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is XQLDTMXLWALRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2,3)43-24-25-47-49(33-43)54(42-21-17-35-11-7-8-12-36(35)30-42)46-16-10-9-15-45(46)53(47)41-22-20-37-29-38(18-19-39(37)31-41)40-23-26-51-48(32-40)50-34-56-28-27-52(50)57(51)44-13-5-4-6-14-44/h4-34H,1-3H3.
What are the key properties of 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole?
8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 728.94 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 88886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).