N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine

C48H35N3 — CID 118565253

IUPACN,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC3)c3ccc(N(c5ccccc5)c5ccccc5)c5cccc-4c35)nc2)cc1
InChIInChI=1S/C48H35N3/c1-5-14-35(15-6-1)50(36-16-7-2-8-17-36)39-25-28-45(49-33-39)34-24-26-40-41-22-13-23-42-46(29-27-43(47(41)42)48(30-31-48)44(40)32-34)51(37-18-9-3-10-19-37)38-20-11-4-12-21-38/h1-29,32-33H,30-31H2
InChIKeySCPMQWYUPPGXKI-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.90
Rot. Bonds7

About N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine

N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine (PubChem CID 118565253) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine
PubChem CID118565253
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC NameN,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC3)c3ccc(N(c5ccccc5)c5ccccc5)c5cccc-4c35)nc2)cc1
InChIInChI=1S/C48H35N3/c1-5-14-35(15-6-1)50(36-16-7-2-8-17-36)39-25-28-45(49-33-39)34-24-26-40-41-22-13-23-42-46(29-27-43(47(41)42)48(30-31-48)44(40)32-34)51(37-18-9-3-10-19-37)38-20-11-4-12-21-38/h1-29,32-33H,30-31H2
InChIKeySCPMQWYUPPGXKI-UHFFFAOYSA-N
XLogP12.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-4-N,9-N-diphenylspiro[benzo[a]phenalene-7,1'-cyclopropane]-4,9-diamine
CID 118565279
1-N,4-N-bis[4-(N-phenylanilino)phenyl]-1-N,4-N-di(spiro[cyclohexane-1,9'-fluorene]-2'-yl)naphthalene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[6-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-3-pyridinyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158135697
4-phenyl-N-(4-phenylphenyl)-N-[4-(4-spiro[benzo[a]phenalene-7,1'-cyclopropane]-4-ylphenyl)phenyl]aniline
CID 118565229
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-amine
CID 118565245
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-phenanthren-9-yl-N-(3-phenylphenyl)spiro[benzo[a]phenalene-7,1'-cyclopropane]-3-amine
CID 118565213
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
CID 134387037

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine?
The IUPAC name of N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine (CID 118565253) is N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine.
What is the SMILES notation for N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine?
The canonical SMILES for N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(CC3)c3ccc(N(c5ccccc5)c5ccccc5)c5cccc-4c35)nc2)cc1.
What is the InChIKey of N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine?
The InChIKey is SCPMQWYUPPGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-5-14-35(15-6-1)50(36-16-7-2-8-17-36)39-25-28-45(49-33-39)34-24-26-40-41-22-13-23-42-46(29-27-43(47(41)42)48(30-31-48)44(40)32-34)51(37-18-9-3-10-19-37)38-20-11-4-12-21-38/h1-29,32-33H,30-31H2.
What are the key properties of N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine?
N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine has a molecular weight of 653.83 g/mol, XLogP of 12.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[4-(N-phenylanilino)spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-yl]pyridin-3-amine is sourced from PubChem (CID 118565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).