9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole

C43H29N — CID 58875995

IUPAC9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C43H29N/c1-28-21-22-30-26-32(24-23-29(30)25-28)43-38-17-4-2-15-36(38)42(37-16-3-5-18-39(37)43)31-11-10-12-33(27-31)44-40-19-8-6-13-34(40)35-14-7-9-20-41(35)44/h2-27H,1H3
InChIKeyQEMRYOYVCRKDQM-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.89
Rot. Bonds3

About 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole

9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole (PubChem CID 58875995) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
PubChem CID58875995
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)ccc2c1
InChIInChI=1S/C43H29N/c1-28-21-22-30-26-32(24-23-29(30)25-28)43-38-17-4-2-15-36(38)42(37-16-3-5-18-39(37)43)31-11-10-12-33(27-31)44-40-19-8-6-13-34(40)35-14-7-9-20-41(35)44/h2-27H,1H3
InChIKeyQEMRYOYVCRKDQM-UHFFFAOYSA-N
XLogP11.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole (CID 58875995) is 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole is Cc1ccc2cc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is QEMRYOYVCRKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-28-21-22-30-26-32(24-23-29(30)25-28)43-38-17-4-2-15-36(38)42(37-16-3-5-18-39(37)43)31-11-10-12-33(27-31)44-40-19-8-6-13-34(40)35-14-7-9-20-41(35)44/h2-27H,1H3.
What are the key properties of 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole?
9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 559.71 g/mol, XLogP of 11.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).