8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole

C49H34N2 — CID 126605131

IUPAC8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3cc(-c4cccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c4)ccc3n2-c2ccccc2)CN1
InChIInChI=1S/C49H34N2/c1-4-13-33(14-5-1)48-40-21-10-11-22-41(40)49(34-15-6-2-7-16-34)44-31-37(23-25-42(44)48)35-17-12-18-36(29-35)38-24-26-46-43(30-38)45-32-50-28-27-47(45)51(46)39-19-8-3-9-20-39/h1-31,50H,32H2
InChIKeyCENBZORPHRLQSC-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.68
Rot. Bonds5

About 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole

8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole (PubChem CID 126605131) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
PubChem CID126605131
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3cc(-c4cccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c4)ccc3n2-c2ccccc2)CN1
InChIInChI=1S/C49H34N2/c1-4-13-33(14-5-1)48-40-21-10-11-22-41(40)49(34-15-6-2-7-16-34)44-31-37(23-25-42(44)48)35-17-12-18-36(29-35)38-24-26-46-43(30-38)45-32-50-28-27-47(45)51(46)39-19-8-3-9-20-39/h1-31,50H,32H2
InChIKeyCENBZORPHRLQSC-UHFFFAOYSA-N
XLogP12.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 129299674
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
CID 126605102
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
5-[6-[6-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 143626891
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646

Frequently Asked Questions

What is the IUPAC name of 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The IUPAC name of 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole (CID 126605131) is 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The canonical SMILES for 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole is C1=Cc2c(c3cc(-c4cccc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)c4)ccc3n2-c2ccccc2)CN1.
What is the InChIKey of 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The InChIKey is CENBZORPHRLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-4-13-33(14-5-1)48-40-21-10-11-22-41(40)49(34-15-6-2-7-16-34)44-31-37(23-25-42(44)48)35-17-12-18-36(29-35)38-24-26-46-43(30-38)45-32-50-28-27-47(45)51(46)39-19-8-3-9-20-39/h1-31,50H,32H2.
What are the key properties of 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 650.83 g/mol, XLogP of 12.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 126605131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).