(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine

C52H42N2 — CID 174102073

IUPAC(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
SMILESC=CC=C1/C(=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2C1(C)C
InChIInChI=1S/C52H42N2/c1-5-15-48-44(6-2)45-32-31-43(35-49(45)52(48,3)4)53(41-27-22-37(23-28-41)36-16-9-7-10-17-36)42-29-24-38(25-30-42)39-26-33-51-47(34-39)46-20-13-14-21-50(46)54(51)40-18-11-8-12-19-40/h5-35H,1H2,2-4H3/b44-6-,48-15?
InChIKeyMYCXPTHWHVQAEP-ANRCTXCYSA-N
MW694.92 g/mol
LogP14.39
Rot. Bonds7

About (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine

(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine (PubChem CID 174102073) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine.

Molecular Properties

Compound Name(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
PubChem CID174102073
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
SMILESC=CC=C1/C(=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2C1(C)C
InChIInChI=1S/C52H42N2/c1-5-15-48-44(6-2)45-32-31-43(35-49(45)52(48,3)4)53(41-27-22-37(23-28-41)36-16-9-7-10-17-36)42-29-24-38(25-30-42)39-26-33-51-47(34-39)46-20-13-14-21-50(46)54(51)40-18-11-8-12-19-40/h5-35H,1H2,2-4H3/b44-6-,48-15?
InChIKeyMYCXPTHWHVQAEP-ANRCTXCYSA-N
XLogP14.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255

Frequently Asked Questions

What is the IUPAC name of (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine?
The IUPAC name of (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine (CID 174102073) is (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine.
What is the SMILES notation for (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine?
The canonical SMILES for (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine is C=CC=C1/C(=C\C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2C1(C)C.
What is the InChIKey of (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine?
The InChIKey is MYCXPTHWHVQAEP-ANRCTXCYSA-N. The full InChI is InChI=1S/C52H42N2/c1-5-15-48-44(6-2)45-32-31-43(35-49(45)52(48,3)4)53(41-27-22-37(23-28-41)36-16-9-7-10-17-36)42-29-24-38(25-30-42)39-26-33-51-47(34-39)46-20-13-14-21-50(46)54(51)40-18-11-8-12-19-40/h5-35H,1H2,2-4H3/b44-6-,48-15?.
What are the key properties of (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine?
(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine has a molecular weight of 694.92 g/mol, XLogP of 14.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine is sourced from PubChem (CID 174102073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).