2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine

C32H29N — CID 71310658

IUPAC2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine
SMILESCC(C)NC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29N/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27/h3-23,30,33H,1-2H3
InChIKeyYLSCFVWXKDHHTO-UHFFFAOYSA-N
MW427.59 g/mol
LogP7.80
Rot. Bonds6

About 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine

2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine (PubChem CID 71310658) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine
PubChem CID71310658
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine
SMILESCC(C)NC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29N/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27/h3-23,30,33H,1-2H3
InChIKeyYLSCFVWXKDHHTO-UHFFFAOYSA-N
XLogP7.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,3,4,5,6-pentakis-phenyl-3H-azepine
CID 92856996
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CID 134888097
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
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bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine
CID 161455476
(5Z)-5-butan-2-ylidene-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 102142073
2,3,4,5-tetraphenyl-2H-phosphole
CID 18913943
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
trimethyl 2,4,6,7-tetraphenylcyclohepta-1,4,6-triene-1,3,5-tricarboxylate
CID 132820007
2-[3-(propan-2-ylamino)phenyl]cyclopropane-1-carboxylic acid
CID 174350674
methyl 2,3,4,5-tetraphenylcyclohexa-2,4-diene-1-carboxylate
CID 134900005
2,3,4,5-tetraphenyl-2,5-dihydro-1H-germole
CID 173146259

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine (CID 71310658) is 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine is CC(C)NC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine?
The InChIKey is YLSCFVWXKDHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27/h3-23,30,33H,1-2H3.
What are the key properties of 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine?
2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine has a molecular weight of 427.59 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 71310658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).