3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C54H34N4 — CID 121241512

IUPAC3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5cccc6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-17-41(18-3-1)57-50-23-10-8-20-44(50)46-32-38(27-29-52(46)57)39-28-30-53-47(33-39)45-21-9-11-24-51(45)58(53)54-55-48(40-26-25-35-13-4-5-15-37(35)31-40)34-49(56-54)43-22-12-16-36-14-6-7-19-42(36)43/h1-34H
InChIKeyXEISWUAVPAAIPS-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121241512) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID121241512
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5cccc6ccccc56)n4)ccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-17-41(18-3-1)57-50-23-10-8-20-44(50)46-32-38(27-29-52(46)57)39-28-30-53-47(33-39)45-21-9-11-24-51(45)58(53)54-55-48(40-26-25-35-13-4-5-15-37(35)31-40)34-49(56-54)43-22-12-16-36-14-6-7-19-42(36)43/h1-34H
InChIKeyXEISWUAVPAAIPS-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole
CID 58971555
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-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 159640568
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
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
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
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 121241512) is 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5cccc6ccccc56)n4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is XEISWUAVPAAIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-17-41(18-3-1)57-50-23-10-8-20-44(50)46-32-38(27-29-52(46)57)39-28-30-53-47(33-39)45-21-9-11-24-51(45)58(53)54-55-48(40-26-25-35-13-4-5-15-37(35)31-40)34-49(56-54)43-22-12-16-36-14-6-7-19-42(36)43/h1-34H.
What are the key properties of 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121241512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).