N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine

C41H27N — CID 134193979

IUPACN,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C41H27N/c1-3-15-30(16-4-1)42(31-17-5-2-6-18-31)32-23-24-35-36-25-28-13-7-8-14-29(28)26-39(36)41(40(35)27-32)37-21-11-9-19-33(37)34-20-10-12-22-38(34)41/h1-27H
InChIKeyZVORPQBSNQWHBZ-UHFFFAOYSA-N
MW533.67 g/mol
LogP10.65
Rot. Bonds3

About N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine

N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine (PubChem CID 134193979) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
PubChem CID134193979
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC NameN,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C41H27N/c1-3-15-30(16-4-1)42(31-17-5-2-6-18-31)32-23-24-35-36-25-28-13-7-8-14-29(28)26-39(36)41(40(35)27-32)37-21-11-9-19-33(37)34-20-10-12-22-38(34)41/h1-27H
InChIKeyZVORPQBSNQWHBZ-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-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
7-N',17-N'-diphenyl-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493907
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N,14-diphenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 130462491
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-amine
CID 137493782
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130462490
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The IUPAC name of N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine (CID 134193979) is N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine.
What is the SMILES notation for N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The canonical SMILES for N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1.
What is the InChIKey of N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The InChIKey is ZVORPQBSNQWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-3-15-30(16-4-1)42(31-17-5-2-6-18-31)32-23-24-35-36-25-28-13-7-8-14-29(28)26-39(36)41(40(35)27-32)37-21-11-9-19-33(37)34-20-10-12-22-38(34)41/h1-27H.
What are the key properties of N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-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[b]fluorene-11,9'-fluorene]-2-amine is sourced from PubChem (CID 134193979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).