3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole

C37H25NO2 — CID 163871133

IUPAC3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(C5(c6ccccc6)Oc6ccccc6O5)ccc43)cc2)cc1
InChIInChI=1S/C37H25NO2/c1-3-11-26(12-4-1)27-19-22-30(23-20-27)38-33-16-8-7-15-31(33)32-25-29(21-24-34(32)38)37(28-13-5-2-6-14-28)39-35-17-9-10-18-36(35)40-37/h1-25H
InChIKeyPKWSROGILMFAHC-UHFFFAOYSA-N
MW515.61 g/mol
LogP9.12
Rot. Bonds4

About 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole

3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 163871133) has the molecular formula C37H25NO2 and a molecular weight of 515.61 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole
PubChem CID163871133
Molecular FormulaC37H25NO2
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC Name3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(C5(c6ccccc6)Oc6ccccc6O5)ccc43)cc2)cc1
InChIInChI=1S/C37H25NO2/c1-3-11-26(12-4-1)27-19-22-30(23-20-27)38-33-16-8-7-15-31(33)32-25-29(21-24-34(32)38)37(28-13-5-2-6-14-28)39-35-17-9-10-18-36(35)40-37/h1-25H
InChIKeyPKWSROGILMFAHC-UHFFFAOYSA-N
XLogP9.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole (CID 163871133) is 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(C5(c6ccccc6)Oc6ccccc6O5)ccc43)cc2)cc1.
What is the InChIKey of 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is PKWSROGILMFAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO2/c1-3-11-26(12-4-1)27-19-22-30(23-20-27)38-33-16-8-7-15-31(33)32-25-29(21-24-34(32)38)37(28-13-5-2-6-14-28)39-35-17-9-10-18-36(35)40-37/h1-25H.
What are the key properties of 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole?
3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 515.61 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-benzodioxol-2-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 163871133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).