N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine

C29H25N — CID 129170982

IUPACN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC1(C)C=CC=C(N(c2cccc3ccccc23)c2cccc3ccccc23)C=C1
InChIInChI=1S/C29H25N/c1-29(2)20-9-14-24(19-21-29)30(27-17-7-12-22-10-3-5-15-25(22)27)28-18-8-13-23-11-4-6-16-26(23)28/h3-21H,1-2H3
InChIKeyBYPILUQNHFXKNQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP8.17
Rot. Bonds3

About N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine

N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 129170982) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID129170982
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC1(C)C=CC=C(N(c2cccc3ccccc23)c2cccc3ccccc23)C=C1
InChIInChI=1S/C29H25N/c1-29(2)20-9-14-24(19-21-29)30(27-17-7-12-22-10-3-5-15-25(22)27)28-18-8-13-23-11-4-6-16-26(23)28/h3-21H,1-2H3
InChIKeyBYPILUQNHFXKNQ-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
CID 144703387
N,N-diphenylnaphthalen-1-amine
CID 11392281
3-(N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)anilino)-5-methylbenzonitrile
CID 166714081
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
[4-(dinaphthalen-1-ylamino)naphthalen-1-yl]boronic acid
CID 175216428
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine (CID 129170982) is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine is CC1(C)C=CC=C(N(c2cccc3ccccc23)c2cccc3ccccc23)C=C1.
What is the InChIKey of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is BYPILUQNHFXKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-29(2)20-9-14-24(19-21-29)30(27-17-7-12-22-10-3-5-15-25(22)27)28-18-8-13-23-11-4-6-16-26(23)28/h3-21H,1-2H3.
What are the key properties of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine?
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 387.53 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 129170982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).