9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole

C47H30N2 — CID 59372038

IUPAC9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C47H30N2/c1-2-12-33-27-34(22-21-31(33)11-1)46-40-15-3-5-17-42(40)47(43-18-6-4-16-41(43)46)36-28-35(29-48-30-36)32-23-25-37(26-24-32)49-44-19-9-7-13-38(44)39-14-8-10-20-45(39)49/h1-30H
InChIKeyQZMSBVNHRWQNNZ-UHFFFAOYSA-N
MW622.77 g/mol
LogP12.64
Rot. Bonds4

About 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole

9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole (PubChem CID 59372038) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
PubChem CID59372038
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C47H30N2/c1-2-12-33-27-34(22-21-31(33)11-1)46-40-15-3-5-17-42(40)47(43-18-6-4-16-41(43)46)36-28-35(29-48-30-36)32-23-25-37(26-24-32)49-44-19-9-7-13-38(44)39-14-8-10-20-45(39)49/h1-30H
InChIKeyQZMSBVNHRWQNNZ-UHFFFAOYSA-N
XLogP12.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 512.64
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

9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
CID 118027278
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
CID 59372061
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 58879515

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole (CID 59372038) is 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole is c1ccc2cc(-c3c4ccccc4c(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The InChIKey is QZMSBVNHRWQNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-2-12-33-27-34(22-21-31(33)11-1)46-40-15-3-5-17-42(40)47(43-18-6-4-16-41(43)46)36-28-35(29-48-30-36)32-23-25-37(26-24-32)49-44-19-9-7-13-38(44)39-14-8-10-20-45(39)49/h1-30H.
What are the key properties of 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole has a molecular weight of 622.77 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 59372038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).