N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine

C41H27N — CID 146361908

IUPACN,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4cccc-3c24)cc1
InChIInChI=1S/C41H27N/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)31-25-26-34-35-21-11-13-28-14-12-24-38(40(28)35)41(39(34)27-31)36-22-9-7-19-32(36)33-20-8-10-23-37(33)41/h1-27H
InChIKeyZAXWBGZSNBNBGI-UHFFFAOYSA-N
MW533.67 g/mol
LogP10.65
Rot. Bonds3

About N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine

N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine (PubChem CID 146361908) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
PubChem CID146361908
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC NameN,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4cccc-3c24)cc1
InChIInChI=1S/C41H27N/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)31-25-26-34-35-21-11-13-28-14-12-24-38(40(28)35)41(39(34)27-31)36-22-9-7-19-32(36)33-20-8-10-23-37(33)41/h1-27H
InChIKeyZAXWBGZSNBNBGI-UHFFFAOYSA-N
XLogP10.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812075
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
CID 134352391
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794740
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794037
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The IUPAC name of N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine (CID 146361908) is N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine.
What is the SMILES notation for N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The canonical SMILES for N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4cccc-3c24)cc1.
What is the InChIKey of N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
The InChIKey is ZAXWBGZSNBNBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-3-15-29(16-4-1)42(30-17-5-2-6-18-30)31-25-26-34-35-21-11-13-28-14-12-24-38(40(28)35)41(39(34)27-31)36-22-9-7-19-32(36)33-20-8-10-23-37(33)41/h1-27H.
What are the key properties of N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine?
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine has a molecular weight of 533.67 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 146361908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).