N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C67H49N3 — CID 155470934

IUPACN-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc12
InChIInChI=1S/C67H49N3/c1-3-19-58-61-45-52(35-42-66(61)69(63(58)4-2)54-24-13-7-14-25-54)48-30-37-56(38-31-48)68(65-41-34-51(47-20-9-5-10-21-47)44-60(65)50-22-11-6-12-23-50)57-39-32-49(33-40-57)53-36-43-67-62(46-53)59-28-17-18-29-64(59)70(67)55-26-15-8-16-27-55/h3-46H,1H2,2H3/b58-19-,63-4+
InChIKeyBBBVRBFRLGWZHE-BDNDFPISSA-N
MW896.15 g/mol
LogP16.63
Rot. Bonds10

About N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 155470934) has the molecular formula C67H49N3 and a molecular weight of 896.15 g/mol. Its IUPAC name is N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID155470934
Molecular FormulaC67H49N3
Molecular Weight896.15 g/mol
Exact Mass895.39
IUPAC NameN-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc12
InChIInChI=1S/C67H49N3/c1-3-19-58-61-45-52(35-42-66(61)69(63(58)4-2)54-24-13-7-14-25-54)48-30-37-56(38-31-48)68(65-41-34-51(47-20-9-5-10-21-47)44-60(65)50-22-11-6-12-23-50)57-39-32-49(33-40-57)53-36-43-67-62(46-53)59-28-17-18-29-64(59)70(67)55-26-15-8-16-27-55/h3-46H,1H2,2H3/b58-19-,63-4+
InChIKeyBBBVRBFRLGWZHE-BDNDFPISSA-N
XLogP16.63
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.15
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130378130
(Z)-but-2-ene;ethane;(2Z,4Z)-hexa-2,4-diene;(3Z)-penta-1,3-diene;N-phenyl-N-(4-phenylphenyl)-4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine;prop-1-ene
CID 143813894
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 155470934) is N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is C=C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc12.
What is the InChIKey of N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is BBBVRBFRLGWZHE-BDNDFPISSA-N. The full InChI is InChI=1S/C67H49N3/c1-3-19-58-61-45-52(35-42-66(61)69(63(58)4-2)54-24-13-7-14-25-54)48-30-37-56(38-31-48)68(65-41-34-51(47-20-9-5-10-21-47)44-60(65)50-22-11-6-12-23-50)57-39-32-49(33-40-57)53-36-43-67-62(46-53)59-28-17-18-29-64(59)70(67)55-26-15-8-16-27-55/h3-46H,1H2,2H3/b58-19-,63-4+.
What are the key properties of N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 896.15 g/mol, XLogP of 16.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,3Z)-2-ethylidene-1-phenyl-3-prop-2-enylideneindol-5-yl]phenyl]-2,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 155470934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).