(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine

C60H47N3 — CID 135245552

IUPAC(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine
SMILESC1=CC2=C(CC1)c1c(c3ccccc3n1-c1cc(/C(=C/Cc3cccc(-c4ccccc4)c3)NCc3ccccc3)cc(-n3c4ccccc4c4ccc5ccccc5c43)c1)CC2
InChIInChI=1S/C60H47N3/c1-3-16-42(17-4-1)40-61-56(35-30-41-18-15-23-46(36-41)43-19-5-2-6-20-43)47-37-48(62-57-28-13-11-26-52(57)54-33-31-44-21-7-9-24-50(44)59(54)62)39-49(38-47)63-58-29-14-12-27-53(58)55-34-32-45-22-8-10-25-51(45)60(55)63/h1-9,11-24,26-29,31,33,35-39,61H,10,25,30,32,34,40H2/b56-35-
InChIKeyUWESUFZJEPXUNV-LDEZXSCYSA-N
MW810.06 g/mol
LogP14.97
Rot. Bonds9

About (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine

(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine (PubChem CID 135245552) has the molecular formula C60H47N3 and a molecular weight of 810.06 g/mol. Its IUPAC name is (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine
PubChem CID135245552
Molecular FormulaC60H47N3
Molecular Weight810.06 g/mol
Exact Mass809.38
IUPAC Name(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine
SMILESC1=CC2=C(CC1)c1c(c3ccccc3n1-c1cc(/C(=C/Cc3cccc(-c4ccccc4)c3)NCc3ccccc3)cc(-n3c4ccccc4c4ccc5ccccc5c43)c1)CC2
InChIInChI=1S/C60H47N3/c1-3-16-42(17-4-1)40-61-56(35-30-41-18-15-23-46(36-41)43-19-5-2-6-20-43)47-37-48(62-57-28-13-11-26-52(57)54-33-31-44-21-7-9-24-50(44)59(54)62)39-49(38-47)63-58-29-14-12-27-53(58)55-34-32-45-22-8-10-25-51(45)60(55)63/h1-9,11-24,26-29,31,33,35-39,61H,10,25,30,32,34,40H2/b56-35-
InChIKeyUWESUFZJEPXUNV-LDEZXSCYSA-N
XLogP14.97
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.06
LogP ≤ 514.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine with MolForge

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Related Compounds

(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine
CID 135245855
(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine
CID 135245571
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
9-(2-nitrocyclohexa-1,5-dien-1-yl)-11-phenylbenzo[a]carbazole
CID 130452511
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-phenyl-16-[3-(4-phenyl-1,2,5,6-tetrahydroquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134604207
11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 175613411
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine (CID 135245552) is (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine is C1=CC2=C(CC1)c1c(c3ccccc3n1-c1cc(/C(=C/Cc3cccc(-c4ccccc4)c3)NCc3ccccc3)cc(-n3c4ccccc4c4ccc5ccccc5c43)c1)CC2.
What is the InChIKey of (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine?
The InChIKey is UWESUFZJEPXUNV-LDEZXSCYSA-N. The full InChI is InChI=1S/C60H47N3/c1-3-16-42(17-4-1)40-61-56(35-30-41-18-15-23-46(36-41)43-19-5-2-6-20-43)47-37-48(62-57-28-13-11-26-52(57)54-33-31-44-21-7-9-24-50(44)59(54)62)39-49(38-47)63-58-29-14-12-27-53(58)55-34-32-45-22-8-10-25-51(45)60(55)63/h1-9,11-24,26-29,31,33,35-39,61H,10,25,30,32,34,40H2/b56-35-.
What are the key properties of (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine?
(Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine has a molecular weight of 810.06 g/mol, XLogP of 14.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-benzo[a]carbazol-11-yl-5-(1,2,5,6-tetrahydrobenzo[a]carbazol-11-yl)phenyl]-N-benzyl-3-(3-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 135245552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).