6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole

C83H64N4 — CID 142308570

IUPAC6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESC/C=C\C=C/c1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5C4C=CC=CC4)ccc3n(-c3ccccc3)c2c1.CC.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C41H32N2.C40H26N2.C2H6/c1-2-3-6-13-29-20-23-35-37-28-31(22-25-40(37)43(41(35)26-29)33-16-9-5-10-17-33)30-21-24-39-36(27-30)34-18-11-12-19-38(34)42(39)32-14-7-4-8-15-32;1-3-13-28(14-4-1)41-37-21-11-9-18-31(37)35-25-27(23-24-39(35)41)34-26-36-32-19-10-12-22-38(32)42(29-15-5-2-6-16-29)40(36)33-20-8-7-17-30(33)34;1-2/h2-14,16-28,32H,15H2,1H3;1-26H;1-2H3/b3-2-,13-6-;;
InChIKeyWDBBSCXZGLRUCV-HXCIVINCSA-N
MW1117.45 g/mol
LogP22.93
Rot. Bonds8

About 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole

6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole (PubChem CID 142308570) has the molecular formula C83H64N4 and a molecular weight of 1117.45 g/mol. Its IUPAC name is 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
PubChem CID142308570
Molecular FormulaC83H64N4
Molecular Weight1117.45 g/mol
Exact Mass1116.51
IUPAC Name6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESC/C=C\C=C/c1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5C4C=CC=CC4)ccc3n(-c3ccccc3)c2c1.CC.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C41H32N2.C40H26N2.C2H6/c1-2-3-6-13-29-20-23-35-37-28-31(22-25-40(37)43(41(35)26-29)33-16-9-5-10-17-33)30-21-24-39-36(27-30)34-18-11-12-19-38(34)42(39)32-14-7-4-8-15-32;1-3-13-28(14-4-1)41-37-21-11-9-18-31(37)35-25-27(23-24-39(35)41)34-26-36-32-19-10-12-22-38(32)42(29-15-5-2-6-16-29)40(36)33-20-8-7-17-30(33)34;1-2/h2-14,16-28,32H,15H2,1H3;1-26H;1-2H3/b3-2-,13-6-;;
InChIKeyWDBBSCXZGLRUCV-HXCIVINCSA-N
XLogP22.93
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.45
LogP ≤ 522.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole with MolForge

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Related Compounds

3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
9-cyclohexa-2,4-dien-1-yl-3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazole
CID 163416606
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
4-chloro-9-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-14-(9-phenylcarbazol-3-yl)-1,3,5,6,8,10,11,13,15-nonazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
CID 172603873
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
3-butyl-9-cyclohexa-2,4-dien-1-yl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 163846017
24-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-21-phenyl-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 144876658

Frequently Asked Questions

What is the IUPAC name of 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole (CID 142308570) is 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole is C/C=C\C=C/c1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5C4C=CC=CC4)ccc3n(-c3ccccc3)c2c1.CC.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)ccc32)cc1.
What is the InChIKey of 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The InChIKey is WDBBSCXZGLRUCV-HXCIVINCSA-N. The full InChI is InChI=1S/C41H32N2.C40H26N2.C2H6/c1-2-3-6-13-29-20-23-35-37-28-31(22-25-40(37)43(41(35)26-29)33-16-9-5-10-17-33)30-21-24-39-36(27-30)34-18-11-12-19-38(34)42(39)32-14-7-4-8-15-32;1-3-13-28(14-4-1)41-37-21-11-9-18-31(37)35-25-27(23-24-39(35)41)34-26-36-32-19-10-12-22-38(32)42(29-15-5-2-6-16-29)40(36)33-20-8-7-17-30(33)34;1-2/h2-14,16-28,32H,15H2,1H3;1-26H;1-2H3/b3-2-,13-6-;;.
What are the key properties of 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole has a molecular weight of 1117.45 g/mol, XLogP of 22.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 142308570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).