5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

C63H49N7 — CID 129209535

IUPAC5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESC/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(N3C(/C=C\C)=C(C)C4C=CC=CC43)cc(-n3c4ccccc4c4ccccc43)c2)n1
InChIInChI=1S/C63H49N7/c1-5-7-22-40(3)61-64-62(42-23-9-8-10-24-42)66-63(65-61)70-58-34-20-15-29-50(58)52-38-59-51(39-60(52)70)49-28-14-19-33-57(49)69(59)45-36-43(67-53(21-6-2)41(4)46-25-11-16-30-54(46)67)35-44(37-45)68-55-31-17-12-26-47(55)48-27-13-18-32-56(48)68/h5-39,46,54H,1-4H3/b7-5-,21-6-,40-22+
InChIKeyNERAUOFLSKNXBB-MAAMRPHRSA-N
MW904.13 g/mol
LogP15.59
Rot. Bonds8

About 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 129209535) has the molecular formula C63H49N7 and a molecular weight of 904.13 g/mol. Its IUPAC name is 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID129209535
Molecular FormulaC63H49N7
Molecular Weight904.13 g/mol
Exact Mass903.40
IUPAC Name5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESC/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(N3C(/C=C\C)=C(C)C4C=CC=CC43)cc(-n3c4ccccc4c4ccccc43)c2)n1
InChIInChI=1S/C63H49N7/c1-5-7-22-40(3)61-64-62(42-23-9-8-10-24-42)66-63(65-61)70-58-34-20-15-29-50(58)52-38-59-51(39-60(52)70)49-28-14-19-33-57(49)69(59)45-36-43(67-53(21-6-2)41(4)46-25-11-16-30-54(46)67)35-44(37-45)68-55-31-17-12-26-47(55)48-27-13-18-32-56(48)68/h5-39,46,54H,1-4H3/b7-5-,21-6-,40-22+
InChIKeyNERAUOFLSKNXBB-MAAMRPHRSA-N
XLogP15.59
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.13
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole with MolForge

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Related Compounds

5-[(2E)-2-[(Z)-but-2-enylidene]-1-[3-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-methylideneindol-7-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 144531387
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 167223794
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
9-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-methylcarbazole
CID 144884391
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 169037504
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 169037308
2-[9-(4-hexa-2,4-dien-2-ylphenyl)carbazol-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 123736087
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazole
CID 134271208
12-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-pyridin-2-ylindolo[2,3-a]carbazole
CID 163432923

Frequently Asked Questions

What is the IUPAC name of 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 129209535) is 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is C/C=C\C=C(/C)c1nc(-c2ccccc2)nc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(N3C(/C=C\C)=C(C)C4C=CC=CC43)cc(-n3c4ccccc4c4ccccc43)c2)n1.
What is the InChIKey of 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is NERAUOFLSKNXBB-MAAMRPHRSA-N. The full InChI is InChI=1S/C63H49N7/c1-5-7-22-40(3)61-64-62(42-23-9-8-10-24-42)66-63(65-61)70-58-34-20-15-29-50(58)52-38-59-51(39-60(52)70)49-28-14-19-33-57(49)69(59)45-36-43(67-53(21-6-2)41(4)46-25-11-16-30-54(46)67)35-44(37-45)68-55-31-17-12-26-47(55)48-27-13-18-32-56(48)68/h5-39,46,54H,1-4H3/b7-5-,21-6-,40-22+.
What are the key properties of 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 904.13 g/mol, XLogP of 15.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-carbazol-9-yl-5-[3-methyl-2-[(Z)-prop-1-enyl]-3a,7a-dihydroindol-1-yl]phenyl]-11-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 129209535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).