7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole

C48H33N3 — CID 145327096

IUPAC7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)ccc32)=CC(c2ccccc2)C1
InChIInChI=1S/C48H33N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)50-44-24-11-7-20-37(44)40-29-36(26-27-46(40)50)51-45-25-12-9-22-39(45)42-30-41-38-21-8-10-23-43(38)49(47(41)31-48(42)51)34-17-5-2-6-18-34/h1-15,17-31,33H,16H2
InChIKeyPFNCBJXUMAYBJT-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.57
Rot. Bonds4

About 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole

7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole (PubChem CID 145327096) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
PubChem CID145327096
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)ccc32)=CC(c2ccccc2)C1
InChIInChI=1S/C48H33N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)50-44-24-11-7-20-37(44)40-29-36(26-27-46(40)50)51-45-25-12-9-22-39(45)42-30-41-38-21-8-10-23-43(38)49(47(41)31-48(42)51)34-17-5-2-6-18-34/h1-15,17-31,33H,16H2
InChIKeyPFNCBJXUMAYBJT-UHFFFAOYSA-N
XLogP12.57
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 170375920

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole (CID 145327096) is 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole is C1=CC(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)ccc32)=CC(c2ccccc2)C1.
What is the InChIKey of 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole?
The InChIKey is PFNCBJXUMAYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)50-44-24-11-7-20-37(44)40-29-36(26-27-46(40)50)51-45-25-12-9-22-39(45)42-30-41-38-21-8-10-23-43(38)49(47(41)31-48(42)51)34-17-5-2-6-18-34/h1-15,17-31,33H,16H2.
What are the key properties of 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole?
7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole has a molecular weight of 651.81 g/mol, XLogP of 12.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[9-(3-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 145327096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).