N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine

C43H29N — CID 123256418

IUPACN-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2cc(Nc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H29N/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)44-41-25-13-21-37-36-20-9-12-24-40(36)43(42(37)41)38-22-10-7-18-34(38)35-19-8-11-23-39(35)43/h1-28,44H
InChIKeyOBCLQILSGHYBLG-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.11
Rot. Bonds4

About N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine

N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 123256418) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID123256418
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC NameN-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2cc(Nc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H29N/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)44-41-25-13-21-37-36-20-9-12-24-40(36)43(42(37)41)38-22-10-7-18-34(38)35-19-8-11-23-39(35)43/h1-28,44H
InChIKeyOBCLQILSGHYBLG-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

2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
CID 146414017
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 71249287
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 123256418) is N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2cc(Nc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is OBCLQILSGHYBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-3-14-29(15-4-1)31-26-32(30-16-5-2-6-17-30)28-33(27-31)44-41-25-13-21-37-36-20-9-12-24-40(36)43(42(37)41)38-22-10-7-18-34(38)35-19-8-11-23-39(35)43/h1-28,44H.
What are the key properties of N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine 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-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 123256418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).