3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole

C56H41N — CID 155111390

IUPAC3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
SMILESC=C/C=C\C(=C/Cc1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc3C4)c2)c1
InChIInChI=1S/C56H41N/c1-2-3-16-41(26-25-39-14-6-4-7-15-39)42-19-12-20-43(33-42)44-21-13-22-45(34-44)47-27-28-48-35-49-29-31-50(38-53(49)52(48)36-47)57-55-24-11-10-23-51(55)54-37-46(30-32-56(54)57)40-17-8-5-9-18-40/h2-24,26-34,36-38H,1,25,35H2/b16-3-,41-26+
InChIKeyQFUXJMTVZZPUDD-YMUYKICMSA-N
MW727.95 g/mol
LogP14.72
Rot. Bonds9

About 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole

3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole (PubChem CID 155111390) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
PubChem CID155111390
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole
SMILESC=C/C=C\C(=C/Cc1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc3C4)c2)c1
InChIInChI=1S/C56H41N/c1-2-3-16-41(26-25-39-14-6-4-7-15-39)42-19-12-20-43(33-42)44-21-13-22-45(34-44)47-27-28-48-35-49-29-31-50(38-53(49)52(48)36-47)57-55-24-11-10-23-51(55)54-37-46(30-32-56(54)57)40-17-8-5-9-18-40/h2-24,26-34,36-38H,1,25,35H2/b16-3-,41-26+
InChIKeyQFUXJMTVZZPUDD-YMUYKICMSA-N
XLogP14.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
3-[9-(3,5-diphenylphenyl)-6-phenylcarbazol-3-yl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-(3-phenylphenyl)carbazole
CID 156510418
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
CID 144729927
CID 144729927
9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
CID 144541203
3-[16-(3,5-diphenylphenyl)-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl]-9-phenylcarbazole
CID 161059724
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
9-(4-propylphenyl)-3-[6-[9-(4-propylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158482267
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
5-[(2E,4E)-4,6-diphenylhepta-2,4,6-trien-2-yl]-3-[6-[5-[(2E,4E)-4,6-diphenylhexa-2,4-dien-2-yl]-9H-fluoren-3-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 144956052
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole?
The IUPAC name of 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole (CID 155111390) is 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole is C=C/C=C\C(=C/Cc1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)ccc3C4)c2)c1.
What is the InChIKey of 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole?
The InChIKey is QFUXJMTVZZPUDD-YMUYKICMSA-N. The full InChI is InChI=1S/C56H41N/c1-2-3-16-41(26-25-39-14-6-4-7-15-39)42-19-12-20-43(33-42)44-21-13-22-45(34-44)47-27-28-48-35-49-29-31-50(38-53(49)52(48)36-47)57-55-24-11-10-23-51(55)54-37-46(30-32-56(54)57)40-17-8-5-9-18-40/h2-24,26-34,36-38H,1,25,35H2/b16-3-,41-26+.
What are the key properties of 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole?
3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole has a molecular weight of 727.95 g/mol, XLogP of 14.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[6-[3-[3-[(2E,4Z)-1-phenylhepta-2,4,6-trien-3-yl]phenyl]phenyl]-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 155111390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).