N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C51H42N2 — CID 130378130

IUPACN-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12
InChIInChI=1S/C51H42N2/c1-5-43-46-33-38(25-32-50(46)53(49(43)6-2)39-17-11-8-12-18-39)37-23-28-41(29-24-37)52(40-26-21-36(22-27-40)35-15-9-7-10-16-35)42-30-31-45-44-19-13-14-20-47(44)51(3,4)48(45)34-42/h5-34H,1-4H3/b43-5-,49-6+
InChIKeyBTVSXJCEMCTLSX-CTYSHHMNSA-N
MW682.91 g/mol
LogP12.34
Rot. Bonds6

About N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 130378130) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID130378130
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC NameN-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12
InChIInChI=1S/C51H42N2/c1-5-43-46-33-38(25-32-50(46)53(49(43)6-2)39-17-11-8-12-18-39)37-23-28-41(29-24-37)52(40-26-21-36(22-27-40)35-15-9-7-10-16-35)42-30-31-45-44-19-13-14-20-47(44)51(3,4)48(45)34-42/h5-34H,1-4H3/b43-5-,49-6+
InChIKeyBTVSXJCEMCTLSX-CTYSHHMNSA-N
XLogP12.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
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
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
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
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 130378130) is N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12.
What is the InChIKey of N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is BTVSXJCEMCTLSX-CTYSHHMNSA-N. The full InChI is InChI=1S/C51H42N2/c1-5-43-46-33-38(25-32-50(46)53(49(43)6-2)39-17-11-8-12-18-39)37-23-28-41(29-24-37)52(40-26-21-36(22-27-40)35-15-9-7-10-16-35)42-30-31-45-44-19-13-14-20-47(44)51(3,4)48(45)34-42/h5-34H,1-4H3/b43-5-,49-6+.
What are the key properties of N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 682.91 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 130378130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).