ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline

C68H62N2 — CID 143813921

IUPACethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESC=C/C=C(CC)/C(C)=C/C=C\C.CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C54H38N2.C12H18.C2H6/c1-4-13-39(14-5-1)41-27-32-48(33-28-41)55(47-18-8-3-9-19-47)50-20-12-17-45(37-50)43-23-25-44(26-24-43)46-31-36-54-52(38-46)51-21-10-11-22-53(51)56(54)49-34-29-42(30-35-49)40-15-6-2-7-16-40;1-5-8-10-11(4)12(7-3)9-6-2;1-2/h1-38H;5-6,8-10H,2,7H2,1,3-4H3;1-2H3/b;8-5-,11-10+,12-9+;
InChIKeyLEBGZZHDGJPJOA-NVVIEHPVSA-N
MW907.26 g/mol
LogP19.98
Rot. Bonds12

About ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline

ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline (PubChem CID 143813921) has the molecular formula C68H62N2 and a molecular weight of 907.26 g/mol. Its IUPAC name is ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Nameethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
PubChem CID143813921
Molecular FormulaC68H62N2
Molecular Weight907.26 g/mol
Exact Mass906.49
IUPAC Nameethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESC=C/C=C(CC)/C(C)=C/C=C\C.CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C54H38N2.C12H18.C2H6/c1-4-13-39(14-5-1)41-27-32-48(33-28-41)55(47-18-8-3-9-19-47)50-20-12-17-45(37-50)43-23-25-44(26-24-43)46-31-36-54-52(38-46)51-21-10-11-22-53(51)56(54)49-34-29-42(30-35-49)40-15-6-2-7-16-40;1-5-8-10-11(4)12(7-3)9-6-2;1-2/h1-38H;5-6,8-10H,2,7H2,1,3-4H3;1-2H3/b;8-5-,11-10+,12-9+;
InChIKeyLEBGZZHDGJPJOA-NVVIEHPVSA-N
XLogP19.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.26
LogP ≤ 519.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline with MolForge

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Related Compounds

N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
(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-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The IUPAC name of ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline (CID 143813921) is ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The canonical SMILES for ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline is C=C/C=C(CC)/C(C)=C/C=C\C.CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The InChIKey is LEBGZZHDGJPJOA-NVVIEHPVSA-N. The full InChI is InChI=1S/C54H38N2.C12H18.C2H6/c1-4-13-39(14-5-1)41-27-32-48(33-28-41)55(47-18-8-3-9-19-47)50-20-12-17-45(37-50)43-23-25-44(26-24-43)46-31-36-54-52(38-46)51-21-10-11-22-53(51)56(54)49-34-29-42(30-35-49)40-15-6-2-7-16-40;1-5-8-10-11(4)12(7-3)9-6-2;1-2/h1-38H;5-6,8-10H,2,7H2,1,3-4H3;1-2H3/b;8-5-,11-10+,12-9+;.
What are the key properties of ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline?
ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline has a molecular weight of 907.26 g/mol, XLogP of 19.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5E,7Z)-4-ethyl-5-methylnona-1,3,5,7-tetraene;N-phenyl-N-(4-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 143813921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).