7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole

C48H31N3 — CID 134252986

IUPAC7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5)c4cc32)cc1
InChIInChI=1S/C48H31N3/c1-3-14-33(15-4-1)49-43-23-10-8-19-38(43)41-30-42-39-20-9-11-24-44(39)50(47(42)31-46(41)49)35-28-26-32(27-29-35)36-21-13-22-40-37-18-7-12-25-45(37)51(48(36)40)34-16-5-2-6-17-34/h1-31H
InChIKeyRTRJIFAONYMARP-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole

7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole (PubChem CID 134252986) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
PubChem CID134252986
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5)c4cc32)cc1
InChIInChI=1S/C48H31N3/c1-3-14-33(15-4-1)49-43-23-10-8-19-38(43)41-30-42-39-20-9-11-24-44(39)50(47(42)31-46(41)49)35-28-26-32(27-29-35)36-21-13-22-40-37-18-7-12-25-45(37)51(48(36)40)34-16-5-2-6-17-34/h1-31H
InChIKeyRTRJIFAONYMARP-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

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole (CID 134252986) is 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5)c4cc32)cc1.
What is the InChIKey of 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole?
The InChIKey is RTRJIFAONYMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-14-33(15-4-1)49-43-23-10-8-19-38(43)41-30-42-39-20-9-11-24-44(39)50(47(42)31-46(41)49)35-28-26-32(27-29-35)36-21-13-22-40-37-18-7-12-25-45(37)51(48(36)40)34-16-5-2-6-17-34/h1-31H.
What are the key properties of 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole?
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]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 7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 134252986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).