1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole

C54H35N3 — CID 170374759

IUPAC1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c32)cc1
InChIInChI=1S/C54H35N3/c1-3-18-36(19-4-1)38-26-15-27-39(37-20-5-2-6-21-37)53(38)57-47-31-13-9-24-42(47)43-28-16-35-51(54(43)57)56-48-32-14-10-25-44(48)52-49(33-17-34-50(52)56)55-45-29-11-7-22-40(45)41-23-8-12-30-46(41)55/h1-35H
InChIKeyFJIOBARTKYBXDR-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole

1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole (PubChem CID 170374759) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole.

Molecular Properties

Compound Name1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
PubChem CID170374759
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c32)cc1
InChIInChI=1S/C54H35N3/c1-3-18-36(19-4-1)38-26-15-27-39(37-20-5-2-6-21-37)53(38)57-47-31-13-9-24-42(47)43-28-16-35-51(54(43)57)56-48-32-14-10-25-44(48)52-49(33-17-34-50(52)56)55-45-29-11-7-22-40(45)41-23-8-12-30-46(41)55/h1-35H
InChIKeyFJIOBARTKYBXDR-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
9-phenyl-18-(5-phenylnaphthalen-1-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170180072
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606200
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
9-(2-phenylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299039
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole?
The IUPAC name of 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole (CID 170374759) is 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole.
What is the SMILES notation for 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole?
The canonical SMILES for 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)c32)cc1.
What is the InChIKey of 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole?
The InChIKey is FJIOBARTKYBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-18-36(19-4-1)38-26-15-27-39(37-20-5-2-6-21-37)53(38)57-47-31-13-9-24-42(47)43-28-16-35-51(54(43)57)56-48-32-14-10-25-44(48)52-49(33-17-34-50(52)56)55-45-29-11-7-22-40(45)41-23-8-12-30-46(41)55/h1-35H.
What are the key properties of 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole?
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole is sourced from PubChem (CID 170374759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).