N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine

C44H37N — CID 156567998

IUPACN-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)-c2ccccc2C32CCC3CC4CC2C4C3)cc1
InChIInChI=1S/C44H37N/c1-2-12-35(13-3-1)45(36-14-8-11-32(26-36)33-18-17-30-9-4-5-10-31(30)25-33)37-19-20-42-40(28-37)38-15-6-7-16-41(38)44(42)22-21-29-23-34-27-43(44)39(34)24-29/h1-20,25-26,28-29,34,39,43H,21-24,27H2
InChIKeyAVBVGPPGXSLARD-UHFFFAOYSA-N
MW579.79 g/mol
LogP11.70
Rot. Bonds4

About N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine

N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine (PubChem CID 156567998) has the molecular formula C44H37N and a molecular weight of 579.79 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine
PubChem CID156567998
Molecular FormulaC44H37N
Molecular Weight579.79 g/mol
Exact Mass579.29
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)-c2ccccc2C32CCC3CC4CC2C4C3)cc1
InChIInChI=1S/C44H37N/c1-2-12-35(13-3-1)45(36-14-8-11-32(26-36)33-18-17-30-9-4-5-10-31(30)25-33)37-19-20-42-40(28-37)38-15-6-7-16-41(38)44(42)22-21-29-23-34-27-43(44)39(34)24-29/h1-20,25-26,28-29,34,39,43H,21-24,27H2
InChIKeyAVBVGPPGXSLARD-UHFFFAOYSA-N
XLogP11.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)-3-[(2E,4E)-4-spiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-ylhexa-2,4-dien-2-yl]aniline
CID 156567929
N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
CID 156568216
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
CID 156567937
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-(4-naphthalen-2-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722677
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine (CID 156567998) is N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine is c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)-c2ccccc2C32CCC3CC4CC2C4C3)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine?
The InChIKey is AVBVGPPGXSLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N/c1-2-12-35(13-3-1)45(36-14-8-11-32(26-36)33-18-17-30-9-4-5-10-31(30)25-33)37-19-20-42-40(28-37)38-15-6-7-16-41(38)44(42)22-21-29-23-34-27-43(44)39(34)24-29/h1-20,25-26,28-29,34,39,43H,21-24,27H2.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine?
N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine has a molecular weight of 579.79 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,4'-tricyclo[5.2.1.03,9]decane]-3-amine is sourced from PubChem (CID 156567998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).