N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline

C45H38N2 — CID 89408801

IUPACN,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline
SMILESCc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C45H38N2/c1-31-32(2)46(35-14-8-5-9-15-35)44-30-43-41(29-40(31)44)39-27-24-34(28-42(39)45(43,3)4)21-20-33-22-25-38(26-23-33)47(36-16-10-6-11-17-36)37-18-12-7-13-19-37/h5-30H,1-4H3/b21-20+
InChIKeyPSNRNJLHBPMFOZ-QZQOTICOSA-N
MW606.81 g/mol
LogP12.19
Rot. Bonds6

About N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline

N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline (PubChem CID 89408801) has the molecular formula C45H38N2 and a molecular weight of 606.81 g/mol. Its IUPAC name is N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline
PubChem CID89408801
Molecular FormulaC45H38N2
Molecular Weight606.81 g/mol
Exact Mass606.30
IUPAC NameN,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline
SMILESCc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C45H38N2/c1-31-32(2)46(35-14-8-5-9-15-35)44-30-43-41(29-40(31)44)39-27-24-34(28-42(39)45(43,3)4)21-20-33-22-25-38(26-23-33)47(36-16-10-6-11-17-36)37-18-12-7-13-19-37/h5-30H,1-4H3/b21-20+
InChIKeyPSNRNJLHBPMFOZ-QZQOTICOSA-N
XLogP12.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine
CID 89408825
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 123939111
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59246344
4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123536272
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89408857
N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 123754936
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline (CID 89408801) is N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline is Cc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline?
The InChIKey is PSNRNJLHBPMFOZ-QZQOTICOSA-N. The full InChI is InChI=1S/C45H38N2/c1-31-32(2)46(35-14-8-5-9-15-35)44-30-43-41(29-40(31)44)39-27-24-34(28-42(39)45(43,3)4)21-20-33-22-25-38(26-23-33)47(36-16-10-6-11-17-36)37-18-12-7-13-19-37/h5-30H,1-4H3/b21-20+.
What are the key properties of N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline?
N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline has a molecular weight of 606.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline is sourced from PubChem (CID 89408801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).