3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C114H72N8 — CID 159623630

IUPAC3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C60H38N4.C54H34N4/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)63-56-26-10-8-22-50(56)52-36-43(30-34-58(52)63)44-31-35-59-53(37-44)51-23-9-11-27-57(51)64(59)60-61-54(48-24-12-18-41-16-4-6-20-46(41)48)38-55(62-60)49-25-13-19-42-17-5-7-21-47(42)49;1-2-18-39(19-3-1)57-50-26-10-8-22-44(50)46-32-37(28-30-52(46)57)38-29-31-53-47(33-38)45-23-9-11-27-51(45)58(53)54-55-48(42-24-12-16-35-14-4-6-20-40(35)42)34-49(56-54)43-25-13-17-36-15-5-7-21-41(36)43/h1-38H;1-34H
InChIKeyMOFCJAZEFOMJAL-UHFFFAOYSA-N
MW1553.89 g/mol
LogP29.62
Rot. Bonds11

About 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 159623630) has the molecular formula C114H72N8 and a molecular weight of 1553.89 g/mol. Its IUPAC name is 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID159623630
Molecular FormulaC114H72N8
Molecular Weight1553.89 g/mol
Exact Mass1552.59
IUPAC Name3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C60H38N4.C54H34N4/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)63-56-26-10-8-22-50(56)52-36-43(30-34-58(52)63)44-31-35-59-53(37-44)51-23-9-11-27-57(51)64(59)60-61-54(48-24-12-18-41-16-4-6-20-46(41)48)38-55(62-60)49-25-13-19-42-17-5-7-21-47(42)49;1-2-18-39(19-3-1)57-50-26-10-8-22-44(50)46-32-37(28-30-52(46)57)38-29-31-53-47(33-38)45-23-9-11-27-51(45)58(53)54-55-48(42-24-12-16-35-14-4-6-20-40(35)42)34-49(56-54)43-25-13-17-36-15-5-7-21-41(36)43/h1-38H;1-34H
InChIKeyMOFCJAZEFOMJAL-UHFFFAOYSA-N
XLogP29.62
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.89
LogP ≤ 529.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241512
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 159623630) is 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)n5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)n4)ccc32)cc1.
What is the InChIKey of 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is MOFCJAZEFOMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4.C54H34N4/c1-2-14-39(15-3-1)40-28-32-45(33-29-40)63-56-26-10-8-22-50(56)52-36-43(30-34-58(52)63)44-31-35-59-53(37-44)51-23-9-11-27-57(51)64(59)60-61-54(48-24-12-18-41-16-4-6-20-46(41)48)38-55(62-60)49-25-13-19-42-17-5-7-21-47(42)49;1-2-18-39(19-3-1)57-50-26-10-8-22-44(50)46-32-37(28-30-52(46)57)38-29-31-53-47(33-38)45-23-9-11-27-51(45)58(53)54-55-48(42-24-12-16-35-14-4-6-20-40(35)42)34-49(56-54)43-25-13-17-36-15-5-7-21-41(36)43/h1-38H;1-34H.
What are the key properties of 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1553.89 g/mol, XLogP of 29.62, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 159623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).