3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole

C58H40N4 — CID 136594209

IUPAC3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole
SMILESC1=CC(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)=NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)N1
InChIInChI=1S/C58H40N4/c1-3-12-39(13-4-1)41-22-24-43(25-23-41)44-16-11-17-47(36-44)53-34-35-59-58(60-53)62-55-21-10-8-19-50(55)52-38-46(29-33-57(52)62)45-28-32-56-51(37-45)49-18-7-9-20-54(49)61(56)48-30-26-42(27-31-48)40-14-5-2-6-15-40/h1-38,58-59H
InChIKeyPGZBCOJYCDQJKV-UHFFFAOYSA-N
MW792.99 g/mol
LogP14.62
Rot. Bonds7

About 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole (PubChem CID 136594209) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole
PubChem CID136594209
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole
SMILESC1=CC(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)=NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)N1
InChIInChI=1S/C58H40N4/c1-3-12-39(13-4-1)41-22-24-43(25-23-41)44-16-11-17-47(36-44)53-34-35-59-58(60-53)62-55-21-10-8-19-50(55)52-38-46(29-33-57(52)62)45-28-32-56-51(37-45)49-18-7-9-20-54(49)61(56)48-30-26-42(27-31-48)40-14-5-2-6-15-40/h1-38,58-59H
InChIKeyPGZBCOJYCDQJKV-UHFFFAOYSA-N
XLogP14.62
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-(9-phenylcarbazol-3-yl)-9-(4-phenyl-1,2-dihydropyridin-2-yl)carbazole
CID 129199948

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole (CID 136594209) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole is C1=CC(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)=NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)N1.
What is the InChIKey of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole?
The InChIKey is PGZBCOJYCDQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-3-12-39(13-4-1)41-22-24-43(25-23-41)44-16-11-17-47(36-44)53-34-35-59-58(60-53)62-55-21-10-8-19-50(55)52-38-46(29-33-57(52)62)45-28-32-56-51(37-45)49-18-7-9-20-54(49)61(56)48-30-26-42(27-31-48)40-14-5-2-6-15-40/h1-38,58-59H.
What are the key properties of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole?
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole has a molecular weight of 792.99 g/mol, XLogP of 14.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]-1,2-dihydropyrimidin-2-yl]carbazole is sourced from PubChem (CID 136594209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).