N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline

C42H41N — CID 22900167

IUPACN,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C42H41N/c1-41(2,3)33-19-25-36(26-20-33)43(37-27-21-34(22-28-37)42(4,5)6)35-23-15-30(16-24-35)29-40-38-13-9-7-11-31(38)17-18-32-12-8-10-14-39(32)40/h7-29H,1-6H3
InChIKeyWNGJFQZSISVQAP-UHFFFAOYSA-N
MW559.80 g/mol
LogP11.82
Rot. Bonds4

About N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline

N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline (PubChem CID 22900167) has the molecular formula C42H41N and a molecular weight of 559.80 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline
PubChem CID22900167
Molecular FormulaC42H41N
Molecular Weight559.80 g/mol
Exact Mass559.32
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C42H41N/c1-41(2,3)33-19-25-36(26-20-33)43(37-27-21-34(22-28-37)42(4,5)6)35-23-15-30(16-24-35)29-40-38-13-9-7-11-31(38)17-18-32-12-8-10-14-39(32)40/h7-29H,1-6H3
InChIKeyWNGJFQZSISVQAP-UHFFFAOYSA-N
XLogP11.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.80
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)phenyl]aniline
CID 67903713
4-tert-butyl-N,N-diphenylaniline
CID 11312667
2-[[4-(N-phenylanilino)phenyl]methylidene]indene-1,3-dione
CID 22982112
2-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]indene-1,3-dione
CID 20617859
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
4-[(Z)-(2-chloroinden-1-ylidene)methyl]-N,N-dimethylaniline
CID 53315278
N,N-bis[4-[2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]aniline
CID 76695562
2-[5-[[4-(N-[4-[(6-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)methyl]phenyl]anilino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 72555367
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline (CID 22900167) is N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline is CC(C)(C)c1ccc(N(c2ccc(C=C3c4ccccc4C=Cc4ccccc43)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline?
The InChIKey is WNGJFQZSISVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N/c1-41(2,3)33-19-25-36(26-20-33)43(37-27-21-34(22-28-37)42(4,5)6)35-23-15-30(16-24-35)29-40-38-13-9-7-11-31(38)17-18-32-12-8-10-14-39(32)40/h7-29H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline?
N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline has a molecular weight of 559.80 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidenemethyl)aniline is sourced from PubChem (CID 22900167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).