1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine

C38H32N2 — CID 154732515

IUPAC1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine
SMILESC1=CC(N(c2ccccc2)c2ccccc2)C(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C38H32N2/c1-6-18-32(19-7-1)29-31-38(40(35-24-12-4-13-25-35)36-26-14-5-15-27-36)30-17-16-28-37(38)39(33-20-8-2-9-21-33)34-22-10-3-11-23-34/h1-31,37H/b31-29+
InChIKeyFCFKDDDGNBEJIN-OWWNRXNESA-N
MW516.69 g/mol
LogP9.61
Rot. Bonds8

About 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine

1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine (PubChem CID 154732515) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine
PubChem CID154732515
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine
SMILESC1=CC(N(c2ccccc2)c2ccccc2)C(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C38H32N2/c1-6-18-32(19-7-1)29-31-38(40(35-24-12-4-13-25-35)36-26-14-5-15-27-36)30-17-16-28-37(38)39(33-20-8-2-9-21-33)34-22-10-3-11-23-34/h1-31,37H/b31-29+
InChIKeyFCFKDDDGNBEJIN-OWWNRXNESA-N
XLogP9.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
CID 87057597
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 70267811
4-[(E)-2-[4-[(E)-2-[4-cyano-4-(N-phenylanilino)cyclohexa-2,5-dien-1-yl]ethenyl]phenyl]ethenyl]-1-(N-phenylanilino)cyclohexa-2,5-diene-1-carbonitrile
CID 67675358
1-(2-phenylethenyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 154106781
5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
CID 87781266
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
cesium (1R,2R,6R)-2-methyl-5-oxo-6-[(E)-2-phenylethenyl]-7-oxabicyclo[4.1.0]hept-3-en-2-olate
CID 154711262
CID 70569152
CID 70569152
CID 70567885
CID 70567885
2-[6-cyano-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]benzonitrile
CID 141012983

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine (CID 154732515) is 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine is C1=CC(N(c2ccccc2)c2ccccc2)C(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FCFKDDDGNBEJIN-OWWNRXNESA-N. The full InChI is InChI=1S/C38H32N2/c1-6-18-32(19-7-1)29-31-38(40(35-24-12-4-13-25-35)36-26-14-5-15-27-36)30-17-16-28-37(38)39(33-20-8-2-9-21-33)34-22-10-3-11-23-34/h1-31,37H/b31-29+.
What are the key properties of 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine?
1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 516.69 g/mol, XLogP of 9.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetraphenyl-1-[(E)-2-phenylethenyl]cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 154732515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).