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

C60H43N3 — CID 135245855

IUPAC(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine
SMILESC(\Cc1ccccc1-c1ccccc1)=C(\NCc1ccccc1)c1cc(-n2c3ccccc3c3ccc4ccccc4c32)cc(-n2c3ccccc3c3ccc4ccccc4c32)c1
InChIInChI=1S/C60H43N3/c1-3-17-41(18-4-1)40-61-56(36-33-43-21-7-10-24-49(43)42-19-5-2-6-20-42)46-37-47(62-57-29-15-13-27-52(57)54-34-31-44-22-8-11-25-50(44)59(54)62)39-48(38-46)63-58-30-16-14-28-53(58)55-35-32-45-23-9-12-26-51(45)60(55)63/h1-32,34-39,61H,33,40H2/b56-36-
InChIKeyAYRSNSCKGRWIQB-MZIXASFFSA-N
MW806.02 g/mol
LogP15.23
Rot. Bonds9

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

(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine (PubChem CID 135245855) has the molecular formula C60H43N3 and a molecular weight of 806.02 g/mol. Its IUPAC name is (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine
PubChem CID135245855
Molecular FormulaC60H43N3
Molecular Weight806.02 g/mol
Exact Mass805.35
IUPAC Name(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine
SMILESC(\Cc1ccccc1-c1ccccc1)=C(\NCc1ccccc1)c1cc(-n2c3ccccc3c3ccc4ccccc4c32)cc(-n2c3ccccc3c3ccc4ccccc4c32)c1
InChIInChI=1S/C60H43N3/c1-3-17-41(18-4-1)40-61-56(36-33-43-21-7-10-24-49(43)42-19-5-2-6-20-42)46-37-47(62-57-29-15-13-27-52(57)54-34-31-44-22-8-11-25-50(44)59(54)62)39-48(38-46)63-58-30-16-14-28-53(58)55-35-32-45-23-9-12-26-51(45)60(55)63/h1-32,34-39,61H,33,40H2/b56-36-
InChIKeyAYRSNSCKGRWIQB-MZIXASFFSA-N
XLogP15.23
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.02
LogP ≤ 515.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
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-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189
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
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
12-phenyl-16-[3-(2-phenylphenyl)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 155465610
12-(2-naphthalen-2-ylphenyl)-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 167157211
(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
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine (CID 135245855) is (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine is C(\Cc1ccccc1-c1ccccc1)=C(\NCc1ccccc1)c1cc(-n2c3ccccc3c3ccc4ccccc4c32)cc(-n2c3ccccc3c3ccc4ccccc4c32)c1.
What is the InChIKey of (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine?
The InChIKey is AYRSNSCKGRWIQB-MZIXASFFSA-N. The full InChI is InChI=1S/C60H43N3/c1-3-17-41(18-4-1)40-61-56(36-33-43-21-7-10-24-49(43)42-19-5-2-6-20-42)46-37-47(62-57-29-15-13-27-52(57)54-34-31-44-22-8-11-25-50(44)59(54)62)39-48(38-46)63-58-30-16-14-28-53(58)55-35-32-45-23-9-12-26-51(45)60(55)63/h1-32,34-39,61H,33,40H2/b56-36-.
What are the key properties of (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine?
(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine has a molecular weight of 806.02 g/mol, XLogP of 15.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 135245855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).