12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C48H31N3 — CID 134252991

IUPAC12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c43)cc2)cc1
InChIInChI=1S/C48H31N3/c1-2-12-32(13-3-1)33-22-24-35(25-23-33)50-45-20-10-6-16-39(45)41-30-31-42-40-17-7-11-21-46(40)51(48(42)47(41)50)36-28-26-34(27-29-36)49-43-18-8-4-14-37(43)38-15-5-9-19-44(38)49/h1-31H
InChIKeyBFQUSDPOOPOUCL-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 134252991) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID134252991
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c43)cc2)cc1
InChIInChI=1S/C48H31N3/c1-2-12-32(13-3-1)33-22-24-35(25-23-33)50-45-20-10-6-16-39(45)41-30-31-42-40-17-7-11-21-46(40)51(48(42)47(41)50)36-28-26-34(27-29-36)49-43-18-8-4-14-37(43)38-15-5-9-19-44(38)49/h1-31H
InChIKeyBFQUSDPOOPOUCL-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
CID 160608465
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725

Frequently Asked Questions

What is the IUPAC name of 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 134252991) is 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c43)cc2)cc1.
What is the InChIKey of 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is BFQUSDPOOPOUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-12-32(13-3-1)33-22-24-35(25-23-33)50-45-20-10-6-16-39(45)41-30-31-42-40-17-7-11-21-46(40)51(48(42)47(41)50)36-28-26-34(27-29-36)49-43-18-8-4-14-37(43)38-15-5-9-19-44(38)49/h1-31H.
What are the key properties of 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 134252991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).