2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole

C50H33N3 — CID 130233154

IUPAC2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccn(-c9ccccc9)c8c7)c6c5)cc43)c2)cc1
InChIInChI=1S/C50H33N3/c1-3-12-34(13-4-1)36-14-11-17-40(30-36)52-46-20-9-7-18-42(46)44-26-23-37(31-49(44)52)38-24-27-45-43-19-8-10-21-47(43)53(50(45)32-38)41-25-22-35-28-29-51(48(35)33-41)39-15-5-2-6-16-39/h1-33H
InChIKeyICGMGJHIRIEZKH-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.16
Rot. Bonds5

About 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole

2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 130233154) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
PubChem CID130233154
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccn(-c9ccccc9)c8c7)c6c5)cc43)c2)cc1
InChIInChI=1S/C50H33N3/c1-3-12-34(13-4-1)36-14-11-17-40(30-36)52-46-20-9-7-18-42(46)44-26-23-37(31-49(44)52)38-24-27-45-43-19-8-10-21-47(43)53(50(45)32-38)41-25-22-35-28-29-51(48(35)33-41)39-15-5-2-6-16-39/h1-33H
InChIKeyICGMGJHIRIEZKH-UHFFFAOYSA-N
XLogP13.16
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
7-phenyl-20-(3-phenylphenyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223138
9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130233155
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole (CID 130233154) is 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccn(-c9ccccc9)c8c7)c6c5)cc43)c2)cc1.
What is the InChIKey of 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is ICGMGJHIRIEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-3-12-34(13-4-1)36-14-11-17-40(30-36)52-46-20-9-7-18-42(46)44-26-23-37(31-49(44)52)38-24-27-45-43-19-8-10-21-47(43)53(50(45)32-38)41-25-22-35-28-29-51(48(35)33-41)39-15-5-2-6-16-39/h1-33H.
What are the key properties of 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole?
2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 675.84 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 130233154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).