2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine

C106H68N8 — CID 158005802

IUPAC2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5c(n4)-c4ccccc4C5)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc5c4Cc4ccccc4-5)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C53H34N4/c1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-46-33-39-18-10-11-21-41(39)51(46)54-52(55-53)35-16-6-2-7-17-35;1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-54-51(35-16-6-2-7-17-35)46-33-39-18-10-11-21-41(39)52(46)55-53/h2*1-32H,33H2
InChIKeyFEGUQLTXZQCHEO-UHFFFAOYSA-N
MW1453.77 g/mol
LogP26.49
Rot. Bonds10

About 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine

2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 158005802) has the molecular formula C106H68N8 and a molecular weight of 1453.77 g/mol. Its IUPAC name is 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID158005802
Molecular FormulaC106H68N8
Molecular Weight1453.77 g/mol
Exact Mass1452.56
IUPAC Name2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5c(n4)-c4ccccc4C5)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc5c4Cc4ccccc4-5)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C53H34N4/c1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-46-33-39-18-10-11-21-41(39)51(46)54-52(55-53)35-16-6-2-7-17-35;1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-54-51(35-16-6-2-7-17-35)46-33-39-18-10-11-21-41(39)52(46)55-53/h2*1-32H,33H2
InChIKeyFEGUQLTXZQCHEO-UHFFFAOYSA-N
XLogP26.49
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.77
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine with MolForge

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Related Compounds

4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine;2-phenyl-4-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine;2-phenyl-4-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;4-phenyl-2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 159616464
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 162133182
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
CID 121287012
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 160822067
7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 142550922
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551063
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 158215535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine (CID 158005802) is 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5c(n4)-c4ccccc4C5)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)nc5c4Cc4ccccc4-5)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is FEGUQLTXZQCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H34N4/c1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-46-33-39-18-10-11-21-41(39)51(46)54-52(55-53)35-16-6-2-7-17-35;1-4-14-34(15-5-1)36-24-27-48-44(30-36)45-32-38(25-28-49(45)56(48)40-19-8-3-9-20-40)37-26-29-50-43(31-37)42-22-12-13-23-47(42)57(50)53-54-51(35-16-6-2-7-17-35)46-33-39-18-10-11-21-41(39)52(46)55-53/h2*1-32H,33H2.
What are the key properties of 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine?
2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 1453.77 g/mol, XLogP of 26.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 158005802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).