9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole

C49H34N2 — CID 134531032

IUPAC9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
SMILESC1=CC2=C(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)nc3)c3ccccc3C(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C49H34N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-39-19-7-9-21-41(39)48(42-22-10-8-20-40(42)47)36-30-31-45(50-32-36)44-24-13-23-43-38-18-11-12-25-46(38)51(49(43)44)37-16-5-2-6-17-37/h1-32,39,47H
InChIKeyYOPOFHBKAVSXBX-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.20
Rot. Bonds5

About 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole

9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole (PubChem CID 134531032) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
PubChem CID134531032
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
SMILESC1=CC2=C(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)nc3)c3ccccc3C(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C49H34N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-39-19-7-9-21-41(39)48(42-22-10-8-20-40(42)47)36-30-31-45(50-32-36)44-24-13-23-43-38-18-11-12-25-46(38)51(49(43)44)37-16-5-2-6-17-37/h1-32,39,47H
InChIKeyYOPOFHBKAVSXBX-UHFFFAOYSA-N
XLogP12.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
CID 146920901
dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane
CID 140719813
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
N,4-diphenyl-N-[4-[1-(5-phenylpyrido[4,3-b]indol-3-yl)carbazol-9-yl]phenyl]aniline
CID 129221558
11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
CID 134531039
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
CID 163576090

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole (CID 134531032) is 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole is C1=CC2=C(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)nc3)c3ccccc3C(c3ccc(-c4ccccc4)cc3)C2C=C1.
What is the InChIKey of 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole?
The InChIKey is YOPOFHBKAVSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)47-39-19-7-9-21-41(39)48(42-22-10-8-20-40(42)47)36-30-31-45(50-32-36)44-24-13-23-43-38-18-11-12-25-46(38)51(49(43)44)37-16-5-2-6-17-37/h1-32,39,47H.
What are the key properties of 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole?
9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole has a molecular weight of 650.83 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 134531032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).