9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole

C79H56N4 — CID 154971898

IUPAC9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)=NC(c5ccc(-c6cc(-c7ccccc7)ccc6C6=Cc7ccccc7-c7ccccc7C6)cc5)=N4)c3)C2C=C1
InChIInChI=1S/C79H56N4/c1-3-20-52(21-4-1)56-42-44-65(61-46-57-24-7-9-28-63(57)64-29-10-8-25-58(64)47-61)70(49-56)54-38-40-55(41-39-54)79-80-72(59-26-19-27-62(48-59)82-74-34-15-11-30-66(74)67-31-12-16-35-75(67)82)51-73(81-79)60-43-45-78(71(50-60)53-22-5-2-6-23-53)83-76-36-17-13-32-68(76)69-33-14-18-37-77(69)83/h1-46,48-50,66,72,74H,47,51H2
InChIKeyJMJDPBMYJYZYGG-UHFFFAOYSA-N
MW1061.35 g/mol
LogP19.66
Rot. Bonds9

About 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole

9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole (PubChem CID 154971898) has the molecular formula C79H56N4 and a molecular weight of 1061.35 g/mol. Its IUPAC name is 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole
PubChem CID154971898
Molecular FormulaC79H56N4
Molecular Weight1061.35 g/mol
Exact Mass1060.45
IUPAC Name9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)=NC(c5ccc(-c6cc(-c7ccccc7)ccc6C6=Cc7ccccc7-c7ccccc7C6)cc5)=N4)c3)C2C=C1
InChIInChI=1S/C79H56N4/c1-3-20-52(21-4-1)56-42-44-65(61-46-57-24-7-9-28-63(57)64-29-10-8-25-58(64)47-61)70(49-56)54-38-40-55(41-39-54)79-80-72(59-26-19-27-62(48-59)82-74-34-15-11-30-66(74)67-31-12-16-35-75(67)82)51-73(81-79)60-43-45-78(71(50-60)53-22-5-2-6-23-53)83-76-36-17-13-32-68(76)69-33-14-18-37-77(69)83/h1-46,48-50,66,72,74H,47,51H2
InChIKeyJMJDPBMYJYZYGG-UHFFFAOYSA-N
XLogP19.66
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.35
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole with MolForge

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Related Compounds

11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 174089262
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
2-[9-[4-(2,4-diphenyl-4,5-dihydropyrimidin-6-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160846516
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
22-phenyl-8-[3-(4-phenylphenyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301370
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170392649
[3-[3-[2-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-(3-carbazol-9-ylphenyl)-4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 123415000
4-[2-(4a,9a-dihydrocarbazol-9-yl)-7-carbazol-9-ylcarbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 163780124

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole (CID 154971898) is 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole is C1=CC2c3ccccc3N(c3cccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)=NC(c5ccc(-c6cc(-c7ccccc7)ccc6C6=Cc7ccccc7-c7ccccc7C6)cc5)=N4)c3)C2C=C1.
What is the InChIKey of 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole?
The InChIKey is JMJDPBMYJYZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N4/c1-3-20-52(21-4-1)56-42-44-65(61-46-57-24-7-9-28-63(57)64-29-10-8-25-58(64)47-61)70(49-56)54-38-40-55(41-39-54)79-80-72(59-26-19-27-62(48-59)82-74-34-15-11-30-66(74)67-31-12-16-35-75(67)82)51-73(81-79)60-43-45-78(71(50-60)53-22-5-2-6-23-53)83-76-36-17-13-32-68(76)69-33-14-18-37-77(69)83/h1-46,48-50,66,72,74H,47,51H2.
What are the key properties of 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole?
9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole has a molecular weight of 1061.35 g/mol, XLogP of 19.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-[4-[5-phenyl-2-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-4,5-dihydropyrimidin-6-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 154971898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).