9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine

C93H64N6 — CID 163717991

IUPAC9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4.C41H30N2/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;3-26H,1-2H3
InChIKeyKPAPBYYISHPIQG-UHFFFAOYSA-N
MW1265.58 g/mol
LogP23.94
Rot. Bonds10

About 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine

9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 163717991) has the molecular formula C93H64N6 and a molecular weight of 1265.58 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID163717991
Molecular FormulaC93H64N6
Molecular Weight1265.58 g/mol
Exact Mass1264.52
IUPAC Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4.C41H30N2/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;3-26H,1-2H3
InChIKeyKPAPBYYISHPIQG-UHFFFAOYSA-N
XLogP23.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.58
LogP ≤ 523.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164966677
16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509965
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
22-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510065
12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-a]carbazole
CID 145370545
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
9-[3-carbazol-9-yl-5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158160241
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
CID 67678424

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine (CID 163717991) is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is KPAPBYYISHPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C41H30N2/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)46-34-47(54-52(53-46)38-17-5-2-6-18-38)39-31-40(55-48-23-11-7-19-42(48)43-20-8-12-24-49(43)55)33-41(32-39)56-50-25-13-9-21-44(50)45-22-10-14-26-51(45)56;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;3-26H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine?
9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 1265.58 g/mol, XLogP of 23.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 163717991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).