2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene

C52H39N3 — CID 144919650

IUPAC2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
SMILESC=CC.Cn1c2ccccc2c2ccc(-c3ccc4c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C49H33N3.C3H6/c1-50-44-18-10-8-16-38(44)40-24-20-32(28-46(40)50)33-22-26-42-43-27-23-35(31-49(43)52(48(42)30-33)37-14-6-3-7-15-37)34-21-25-41-39-17-9-11-19-45(39)51(47(41)29-34)36-12-4-2-5-13-36;1-3-2/h2-31H,1H3;3H,1H2,2H3
InChIKeyNVMVAWUBCZYFEQ-UHFFFAOYSA-N
MW705.91 g/mol
LogP14.05
Rot. Bonds4

About 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene

2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene (PubChem CID 144919650) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene.

Molecular Properties

Compound Name2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
PubChem CID144919650
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
SMILESC=CC.Cn1c2ccccc2c2ccc(-c3ccc4c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C49H33N3.C3H6/c1-50-44-18-10-8-16-38(44)40-24-20-32(28-46(40)50)33-22-26-42-43-27-23-35(31-49(43)52(48(42)30-33)37-14-6-3-7-15-37)34-21-25-41-39-17-9-11-19-45(39)51(47(41)29-34)36-12-4-2-5-13-36;1-3-2/h2-31H,1H3;3H,1H2,2H3
InChIKeyNVMVAWUBCZYFEQ-UHFFFAOYSA-N
XLogP14.05
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.91
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
CID 144919690
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
21-methyl-18-(9-phenylcarbazol-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 126632657

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene?
The IUPAC name of 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene (CID 144919650) is 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene.
What is the SMILES notation for 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene?
The canonical SMILES for 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene is C=CC.Cn1c2ccccc2c2ccc(-c3ccc4c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene?
The InChIKey is NVMVAWUBCZYFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.C3H6/c1-50-44-18-10-8-16-38(44)40-24-20-32(28-46(40)50)33-22-26-42-43-27-23-35(31-49(43)52(48(42)30-33)37-14-6-3-7-15-37)34-21-25-41-39-17-9-11-19-45(39)51(47(41)29-34)36-12-4-2-5-13-36;1-3-2/h2-31H,1H3;3H,1H2,2H3.
What are the key properties of 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene?
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene has a molecular weight of 705.91 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene is sourced from PubChem (CID 144919650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).