5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene

C43H33N3 — CID 145396754

IUPAC5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6[nH]c7ccccc7c6c5)c4cc32)cc1
InChIInChI=1S/C36H23N3.C7H10/c1-2-10-23(11-3-1)38-33-16-8-5-13-26(33)29-21-30-27-14-6-9-17-34(27)39(36(30)22-35(29)38)24-18-19-32-28(20-24)25-12-4-7-15-31(25)37-32;1-3-5-7-6-4-2/h1-22,37H;3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyFVHLIHSGSGVAEH-WRFMUYTLSA-N
MW591.76 g/mol
LogP11.82
Rot. Bonds4

About 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene

5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene (PubChem CID 145396754) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene.

Molecular Properties

Compound Name5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene
PubChem CID145396754
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene
SMILESC=C/C=C\C=C/C.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6[nH]c7ccccc7c6c5)c4cc32)cc1
InChIInChI=1S/C36H23N3.C7H10/c1-2-10-23(11-3-1)38-33-16-8-5-13-26(33)29-21-30-27-14-6-9-17-34(27)39(36(30)22-35(29)38)24-18-19-32-28(20-24)25-12-4-7-15-31(25)37-32;1-3-5-7-6-4-2/h1-22,37H;3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyFVHLIHSGSGVAEH-WRFMUYTLSA-N
XLogP11.82
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
ethane;3-methyl-9H-carbazole;9-(3-methylphenyl)carbazole
CID 167454384
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850

Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The IUPAC name of 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene (CID 145396754) is 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene.
What is the SMILES notation for 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The canonical SMILES for 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene is C=C/C=C\C=C/C.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6[nH]c7ccccc7c6c5)c4cc32)cc1.
What is the InChIKey of 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
The InChIKey is FVHLIHSGSGVAEH-WRFMUYTLSA-N. The full InChI is InChI=1S/C36H23N3.C7H10/c1-2-10-23(11-3-1)38-33-16-8-5-13-26(33)29-21-30-27-14-6-9-17-34(27)39(36(30)22-35(29)38)24-18-19-32-28(20-24)25-12-4-7-15-31(25)37-32;1-3-5-7-6-4-2/h1-22,37H;3-7H,1H2,2H3/b;6-4-,7-5-.
What are the key properties of 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene?
5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene has a molecular weight of 591.76 g/mol, XLogP of 11.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene is sourced from PubChem (CID 145396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).