(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine

C62H50N6 — CID 163966873

IUPAC(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
SMILESCCCc1c(/C=C\N)n(-c2ccc(Cc3cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)c3)cc2)c2ccccc12
InChIInChI=1S/C62H50N6/c1-2-9-51-52-10-3-6-13-57(52)66(60(51)28-31-63)48-22-16-42(17-23-48)34-45-37-46(35-43-18-24-49(25-19-43)67-58-14-7-4-11-53(58)55-40-64-32-29-61(55)67)39-47(38-45)36-44-20-26-50(27-21-44)68-59-15-8-5-12-54(59)56-41-65-33-30-62(56)68/h3-8,10-33,37-41H,2,9,34-36,63H2,1H3/b31-28-
InChIKeySMNZXXIKLBUPOO-PNOGMODKSA-N
MW879.12 g/mol
LogP14.27
Rot. Bonds12

About (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine

(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine (PubChem CID 163966873) has the molecular formula C62H50N6 and a molecular weight of 879.12 g/mol. Its IUPAC name is (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
PubChem CID163966873
Molecular FormulaC62H50N6
Molecular Weight879.12 g/mol
Exact Mass878.41
IUPAC Name(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
SMILESCCCc1c(/C=C\N)n(-c2ccc(Cc3cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)c3)cc2)c2ccccc12
InChIInChI=1S/C62H50N6/c1-2-9-51-52-10-3-6-13-57(52)66(60(51)28-31-63)48-22-16-42(17-23-48)34-45-37-46(35-43-18-24-49(25-19-43)67-58-14-7-4-11-53(58)55-40-64-32-29-61(55)67)39-47(38-45)36-44-20-26-50(27-21-44)68-59-15-8-5-12-54(59)56-41-65-33-30-62(56)68/h3-8,10-33,37-41H,2,9,34-36,63H2,1H3/b31-28-
InChIKeySMNZXXIKLBUPOO-PNOGMODKSA-N
XLogP14.27
TPSA66.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 514.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
5-[4-[[3-[[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]-5-[[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole;3-methyl-4-methylidenehex-1-ene
CID 143543595
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
CID 158656541
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
CID 144961499
2-propyl-1-pyridin-4-ylindol-3-amine
CID 57168860
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine?
The IUPAC name of (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine (CID 163966873) is (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine.
What is the SMILES notation for (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine?
The canonical SMILES for (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine is CCCc1c(/C=C\N)n(-c2ccc(Cc3cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)cc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)c3)cc2)c2ccccc12.
What is the InChIKey of (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine?
The InChIKey is SMNZXXIKLBUPOO-PNOGMODKSA-N. The full InChI is InChI=1S/C62H50N6/c1-2-9-51-52-10-3-6-13-57(52)66(60(51)28-31-63)48-22-16-42(17-23-48)34-45-37-46(35-43-18-24-49(25-19-43)67-58-14-7-4-11-53(58)55-40-64-32-29-61(55)67)39-47(38-45)36-44-20-26-50(27-21-44)68-59-15-8-5-12-54(59)56-41-65-33-30-62(56)68/h3-8,10-33,37-41H,2,9,34-36,63H2,1H3/b31-28-.
What are the key properties of (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine?
(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine has a molecular weight of 879.12 g/mol, XLogP of 14.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine is sourced from PubChem (CID 163966873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).