3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole

C100H64N8 — CID 157156172

IUPAC3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1
InChIInChI=1S/2C50H32N4/c2*1-3-15-34(16-4-1)43-32-44(35-17-5-2-6-18-35)52-50(51-43)54-47-24-12-9-21-39(47)41-28-26-37(31-49(41)54)36-27-29-48-42(30-36)40-22-10-11-23-46(40)53(48)45-25-13-19-33-14-7-8-20-38(33)45/h2*1-32H
InChIKeyALVHBSWHSAMSAV-UHFFFAOYSA-N
MW1377.67 g/mol
LogP25.65
Rot. Bonds10

About 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 157156172) has the molecular formula C100H64N8 and a molecular weight of 1377.67 g/mol. Its IUPAC name is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
PubChem CID157156172
Molecular FormulaC100H64N8
Molecular Weight1377.67 g/mol
Exact Mass1376.53
IUPAC Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1
InChIInChI=1S/2C50H32N4/c2*1-3-15-34(16-4-1)43-32-44(35-17-5-2-6-18-35)52-50(51-43)54-47-24-12-9-21-39(47)41-28-26-37(31-49(41)54)36-27-29-48-42(30-36)40-22-10-11-23-46(40)53(48)45-25-13-19-33-14-7-8-20-38(33)45/h2*1-32H
InChIKeyALVHBSWHSAMSAV-UHFFFAOYSA-N
XLogP25.65
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.67
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole 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

3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 71287049
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-1-ylcarbazole
CID 88559195
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
3-[9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazol-3-yl]-9-naphthalen-1-yl-6-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 159910274
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 159138850
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-9-naphthalen-1-yl-6-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-6-phenylcarbazol-3-yl]-9-naphthalen-1-yl-6-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-9-naphthalen-1-yl-6-phenylcarbazole
CID 158428603
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole (CID 157156172) is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is ALVHBSWHSAMSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N4/c2*1-3-15-34(16-4-1)43-32-44(35-17-5-2-6-18-35)52-50(51-43)54-47-24-12-9-21-39(47)41-28-26-37(31-49(41)54)36-27-29-48-42(30-36)40-22-10-11-23-46(40)53(48)45-25-13-19-33-14-7-8-20-38(33)45/h2*1-32H.
What are the key properties of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole?
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 1377.67 g/mol, XLogP of 25.65, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 157156172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).