ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine

C76H66N4 — CID 144816021

IUPACethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
SMILESC=C/C=C(\C=C/C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccncc3)cc2)cc1.CC.Cc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H32N2.C31H28N2.C2H6/c1-31-16-20-36(21-17-31)45(37-22-18-32(19-23-37)33-26-28-44-29-27-33)38-24-25-40-39-14-8-9-15-41(39)43(42(40)30-38,34-10-4-2-5-11-34)35-12-6-3-7-13-35;1-4-6-25(7-5-2)26-10-16-30(17-11-26)33(29-14-8-24(3)9-15-29)31-18-12-27(13-19-31)28-20-22-32-23-21-28;1-2/h2-30H,1H3;4-23H,1H2,2-3H3;1-2H3/b;7-5-,25-6+;
InChIKeyIVRHWCQTSJQYKQ-QCAPTCOKSA-N
MW1035.39 g/mol
LogP20.59
Rot. Bonds13

About ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine

ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine (PubChem CID 144816021) has the molecular formula C76H66N4 and a molecular weight of 1035.39 g/mol. Its IUPAC name is ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Nameethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
PubChem CID144816021
Molecular FormulaC76H66N4
Molecular Weight1035.39 g/mol
Exact Mass1034.53
IUPAC Nameethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
SMILESC=C/C=C(\C=C/C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccncc3)cc2)cc1.CC.Cc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H32N2.C31H28N2.C2H6/c1-31-16-20-36(21-17-31)45(37-22-18-32(19-23-37)33-26-28-44-29-27-33)38-24-25-40-39-14-8-9-15-41(39)43(42(40)30-38,34-10-4-2-5-11-34)35-12-6-3-7-13-35;1-4-6-25(7-5-2)26-10-16-30(17-11-26)33(29-14-8-24(3)9-15-29)31-18-12-27(13-19-31)28-20-22-32-23-21-28;1-2/h2-30H,1H3;4-23H,1H2,2-3H3;1-2H3/b;7-5-,25-6+;
InChIKeyIVRHWCQTSJQYKQ-QCAPTCOKSA-N
XLogP20.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.39
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxyphenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145077386
[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;2-N,2-N',2-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 142370739
9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
CID 163640808
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-N-phenyl-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 142540856
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
5-[9-(3,5-diphenylphenyl)-2,7-dimethylfluoren-9-yl]-3-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 87412480
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The IUPAC name of ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine (CID 144816021) is ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine.
What is the SMILES notation for ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The canonical SMILES for ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine is C=C/C=C(\C=C/C)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccncc3)cc2)cc1.CC.Cc1ccc(N(c2ccc(-c3ccncc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The InChIKey is IVRHWCQTSJQYKQ-QCAPTCOKSA-N. The full InChI is InChI=1S/C43H32N2.C31H28N2.C2H6/c1-31-16-20-36(21-17-31)45(37-22-18-32(19-23-37)33-26-28-44-29-27-33)38-24-25-40-39-14-8-9-15-41(39)43(42(40)30-38,34-10-4-2-5-11-34)35-12-6-3-7-13-35;1-4-6-25(7-5-2)26-10-16-30(17-11-26)33(29-14-8-24(3)9-15-29)31-18-12-27(13-19-31)28-20-22-32-23-21-28;1-2/h2-30H,1H3;4-23H,1H2,2-3H3;1-2H3/b;7-5-,25-6+;.
What are the key properties of ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine has a molecular weight of 1035.39 g/mol, XLogP of 20.59, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-4-methyl-N-(4-pyridin-4-ylphenyl)aniline;N-(4-methylphenyl)-9,9-diphenyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 144816021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).