2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole

C49H44N2 — CID 89037396

IUPAC2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESC=C/C=C(\C=C1/CN2C3=C(C=CCC3)C(C)(C)c3cccc1c32)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)C1=C3C=CCC1
InChIInChI=1S/C49H44N2/c1-6-15-31(26-33-30-50-45-23-13-12-21-41(45)49(4,5)42-22-14-19-35(33)47(42)50)32-24-25-44-38(27-32)39-28-37-36-18-10-11-20-40(36)48(2,3)43(37)29-46(39)51(44)34-16-8-7-9-17-34/h6-10,12,14-19,21-22,24-29H,1,11,13,20,23,30H2,2-5H3/b31-15+,33-26+
InChIKeyAELKXDOGORTAIW-LGJYYZIESA-N
MW660.91 g/mol
LogP12.55
Rot. Bonds4

About 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole

2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole (PubChem CID 89037396) has the molecular formula C49H44N2 and a molecular weight of 660.91 g/mol. Its IUPAC name is 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
PubChem CID89037396
Molecular FormulaC49H44N2
Molecular Weight660.91 g/mol
Exact Mass660.35
IUPAC Name2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESC=C/C=C(\C=C1/CN2C3=C(C=CCC3)C(C)(C)c3cccc1c32)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)C1=C3C=CCC1
InChIInChI=1S/C49H44N2/c1-6-15-31(26-33-30-50-45-23-13-12-21-41(45)49(4,5)42-22-14-19-35(33)47(42)50)32-24-25-44-38(27-32)39-28-37-36-18-10-11-20-40(36)48(2,3)43(37)29-46(39)51(44)34-16-8-7-9-17-34/h6-10,12,14-19,21-22,24-29H,1,11,13,20,23,30H2,2-5H3/b31-15+,33-26+
InChIKeyAELKXDOGORTAIW-LGJYYZIESA-N
XLogP12.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
CID 144556739
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
CID 166914013
32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
CID 146420759
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-7,7-dimethyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 129136328
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 153369534
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
CID 88946984
CID 88946984

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole (CID 89037396) is 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole is C=C/C=C(\C=C1/CN2C3=C(C=CCC3)C(C)(C)c3cccc1c32)c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)C1=C3C=CCC1.
What is the InChIKey of 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The InChIKey is AELKXDOGORTAIW-LGJYYZIESA-N. The full InChI is InChI=1S/C49H44N2/c1-6-15-31(26-33-30-50-45-23-13-12-21-41(45)49(4,5)42-22-14-19-35(33)47(42)50)32-24-25-44-38(27-32)39-28-37-36-18-10-11-20-40(36)48(2,3)43(37)29-46(39)51(44)34-16-8-7-9-17-34/h6-10,12,14-19,21-22,24-29H,1,11,13,20,23,30H2,2-5H3/b31-15+,33-26+.
What are the key properties of 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole has a molecular weight of 660.91 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,2E)-1-(8,8-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,11,13(16)-pentaen-14-ylidene)penta-2,4-dien-2-yl]-7,7-dimethyl-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 89037396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).