3-(10-methylanthracen-9-yl)-9-phenylcarbazole

C33H23N — CID 121339805

IUPAC3-(10-methylanthracen-9-yl)-9-phenylcarbazole
SMILESCc1c2ccccc2c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12
InChIInChI=1S/C33H23N/c1-22-25-13-5-7-16-28(25)33(29-17-8-6-14-26(22)29)23-19-20-32-30(21-23)27-15-9-10-18-31(27)34(32)24-11-3-2-4-12-24/h2-21H,1H3
InChIKeyMMPOCKCDRKBIRW-UHFFFAOYSA-N
MW433.55 g/mol
LogP9.07
Rot. Bonds2

About 3-(10-methylanthracen-9-yl)-9-phenylcarbazole

3-(10-methylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 121339805) has the molecular formula C33H23N and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-(10-methylanthracen-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(10-methylanthracen-9-yl)-9-phenylcarbazole
PubChem CID121339805
Molecular FormulaC33H23N
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name3-(10-methylanthracen-9-yl)-9-phenylcarbazole
SMILESCc1c2ccccc2c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12
InChIInChI=1S/C33H23N/c1-22-25-13-5-7-16-28(25)33(29-17-8-6-14-26(22)29)23-19-20-32-30(21-23)27-15-9-10-18-31(27)34(32)24-11-3-2-4-12-24/h2-21H,1H3
InChIKeyMMPOCKCDRKBIRW-UHFFFAOYSA-N
XLogP9.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 59.07
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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Related Compounds

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
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
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
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-(10-methylanthracen-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-(10-methylanthracen-9-yl)-9-phenylcarbazole (CID 121339805) is 3-(10-methylanthracen-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(10-methylanthracen-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(10-methylanthracen-9-yl)-9-phenylcarbazole is Cc1c2ccccc2c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-(10-methylanthracen-9-yl)-9-phenylcarbazole?
The InChIKey is MMPOCKCDRKBIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N/c1-22-25-13-5-7-16-28(25)33(29-17-8-6-14-26(22)29)23-19-20-32-30(21-23)27-15-9-10-18-31(27)34(32)24-11-3-2-4-12-24/h2-21H,1H3.
What are the key properties of 3-(10-methylanthracen-9-yl)-9-phenylcarbazole?
3-(10-methylanthracen-9-yl)-9-phenylcarbazole has a molecular weight of 433.55 g/mol, XLogP of 9.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methylanthracen-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 121339805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).