11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole

C53H34N2 — CID 134531039

IUPAC11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccc8ccccc8c7n(-c7ccccc7)c56)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)50-42-20-9-11-22-44(42)51(45-23-12-10-21-43(45)50)39-31-33-49(54-34-39)48-25-13-24-46-47-32-30-37-16-7-8-19-41(37)52(47)55(53(46)48)40-17-5-2-6-18-40/h1-34H
InChIKeyNTCVVPZQOKXQMH-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole

11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole (PubChem CID 134531039) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
PubChem CID134531039
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccc8ccccc8c7n(-c7ccccc7)c56)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)50-42-20-9-11-22-44(42)51(45-23-12-10-21-43(45)50)39-31-33-49(54-34-39)48-25-13-24-46-47-32-30-37-16-7-8-19-41(37)52(47)55(53(46)48)40-17-5-2-6-18-40/h1-34H
InChIKeyNTCVVPZQOKXQMH-UHFFFAOYSA-N
XLogP14.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 514.31
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

7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole
CID 134531040
9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
CID 146920901
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
CID 167087504
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940
5-(9,10-diphenylanthracen-2-yl)-11-phenylbenzo[a]carbazole;5-[4-(3,10-diphenylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 158978981
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146781542
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole?
The IUPAC name of 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole (CID 134531039) is 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole?
The canonical SMILES for 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c7ccc8ccccc8c7n(-c7ccccc7)c56)nc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole?
The InChIKey is NTCVVPZQOKXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)50-42-20-9-11-22-44(42)51(45-23-12-10-21-43(45)50)39-31-33-49(54-34-39)48-25-13-24-46-47-32-30-37-16-7-8-19-41(37)52(47)55(53(46)48)40-17-5-2-6-18-40/h1-34H.
What are the key properties of 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole?
11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-10-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[a]carbazole is sourced from PubChem (CID 134531039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).