3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine

C28H24N2 — CID 126568933

IUPAC3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=C(c2ccccc2-c2cccc3ccccc23)C(c2ccccc2)=CC1
InChIInChI=1S/C28H24N2/c29-28(30)18-17-23(20-9-2-1-3-10-20)27(19-28)26-15-7-6-14-25(26)24-16-8-12-21-11-4-5-13-22(21)24/h1-17,19H,18,29-30H2
InChIKeyCBMHSUNUKWPLIZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.99
Rot. Bonds3

About 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine

3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 126568933) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine
PubChem CID126568933
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=C(c2ccccc2-c2cccc3ccccc23)C(c2ccccc2)=CC1
InChIInChI=1S/C28H24N2/c29-28(30)18-17-23(20-9-2-1-3-10-20)27(19-28)26-15-7-6-14-25(26)24-16-8-12-21-11-4-5-13-22(21)24/h1-17,19H,18,29-30H2
InChIKeyCBMHSUNUKWPLIZ-UHFFFAOYSA-N
XLogP5.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
fluoroform;1-(2-phenylphenyl)naphthalene;sulfane
CID 162622934
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CID 11327769
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine (CID 126568933) is 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine is NC1(N)C=C(c2ccccc2-c2cccc3ccccc23)C(c2ccccc2)=CC1.
What is the InChIKey of 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is CBMHSUNUKWPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c29-28(30)18-17-23(20-9-2-1-3-10-20)27(19-28)26-15-7-6-14-25(26)24-16-8-12-21-11-4-5-13-22(21)24/h1-17,19H,18,29-30H2.
What are the key properties of 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine?
3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 388.51 g/mol, XLogP of 5.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-ylphenyl)-4-phenylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 126568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).