N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline

C43H29N — CID 138577304

IUPACN-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(-c2ccc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C43H29N/c1-2-11-29(12-3-1)30-21-24-33(25-22-30)44-34-14-10-13-31(27-34)32-23-26-42-38(28-32)37-17-6-9-20-41(37)43(42)39-18-7-4-15-35(39)36-16-5-8-19-40(36)43/h1-28,44H
InChIKeyUSTUXTMQVXAJOI-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.11
Rot. Bonds4

About N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline

N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline (PubChem CID 138577304) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
PubChem CID138577304
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC NameN-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(-c2ccc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C43H29N/c1-2-11-29(12-3-1)30-21-24-33(25-22-30)44-34-14-10-13-31(27-34)32-23-26-42-38(28-32)37-17-6-9-20-41(37)43(42)39-18-7-4-15-35(39)36-16-5-8-19-40(36)43/h1-28,44H
InChIKeyUSTUXTMQVXAJOI-UHFFFAOYSA-N
XLogP11.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
N,3,6-triphenylspiro[fluorene-9,4'-indeno[2,1-b]furan]-6'-amine
CID 175980983
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
3,9,9-triphenylfluorene
CID 140844354
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The IUPAC name of N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline (CID 138577304) is N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline.
What is the SMILES notation for N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The canonical SMILES for N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline is c1ccc(-c2ccc(Nc3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The InChIKey is USTUXTMQVXAJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-2-11-29(12-3-1)30-21-24-33(25-22-30)44-34-14-10-13-31(27-34)32-23-26-42-38(28-32)37-17-6-9-20-41(37)43(42)39-18-7-4-15-35(39)36-16-5-8-19-40(36)43/h1-28,44H.
What are the key properties of N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline has a molecular weight of 559.71 g/mol, XLogP of 11.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline is sourced from PubChem (CID 138577304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).