4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole

C49H34N2O — CID 156643155

IUPAC4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)cccc21
InChIInChI=1S/C49H34N2O/c1-3-15-33(16-4-2)50-42-25-10-8-19-39(42)47-35(21-13-27-44(47)50)32-29-30-46-41(31-32)38-24-12-23-37(49(38)52-46)36-22-14-28-45-48(36)40-20-9-11-26-43(40)51(45)34-17-6-5-7-18-34/h3-31H,1H2,2H3/b16-4-,33-15+
InChIKeyIXNBCJOOTIAOAZ-ZCZDKKPDSA-N
MW666.82 g/mol
LogP13.73
Rot. Bonds6

About 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole

4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 156643155) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole
PubChem CID156643155
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)cccc21
InChIInChI=1S/C49H34N2O/c1-3-15-33(16-4-2)50-42-25-10-8-19-39(42)47-35(21-13-27-44(47)50)32-29-30-46-41(31-32)38-24-12-23-37(49(38)52-46)36-22-14-28-45-48(36)40-20-9-11-26-43(40)51(45)34-17-6-5-7-18-34/h3-31H,1H2,2H3/b16-4-,33-15+
InChIKeyIXNBCJOOTIAOAZ-ZCZDKKPDSA-N
XLogP13.73
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 139342719
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804413
6-(3-dibenzofuran-4-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;prop-1-ene
CID 144604324
4-(8-fluoranthen-8-yldibenzofuran-2-yl)-9-phenylcarbazole;toluene
CID 144820915
ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 144644357
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388
4-[8-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenyldibenzofuran
CID 167601105
2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole
CID 144596182

Frequently Asked Questions

What is the IUPAC name of 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole (CID 156643155) is 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2c(-c3ccc4oc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)cccc21.
What is the InChIKey of 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The InChIKey is IXNBCJOOTIAOAZ-ZCZDKKPDSA-N. The full InChI is InChI=1S/C49H34N2O/c1-3-15-33(16-4-2)50-42-25-10-8-19-39(42)47-35(21-13-27-44(47)50)32-29-30-46-41(31-32)38-24-12-23-37(49(38)52-46)36-22-14-28-45-48(36)40-20-9-11-26-43(40)51(45)34-17-6-5-7-18-34/h3-31H,1H2,2H3/b16-4-,33-15+.
What are the key properties of 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 666.82 g/mol, XLogP of 13.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 156643155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).