N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine

C40H31N — CID 142567692

IUPACN-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C40H31N/c1-39(2)34-21-11-9-18-30(34)32-20-13-23-37(38(32)39)41-29-24-25-36-33(26-29)31-19-10-12-22-35(31)40(36,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-26,41H,1-2H3
InChIKeyRSVXUAKRHJMCSB-UHFFFAOYSA-N
MW525.70 g/mol
LogP10.10
Rot. Bonds4

About N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine (PubChem CID 142567692) has the molecular formula C40H31N and a molecular weight of 525.70 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
PubChem CID142567692
Molecular FormulaC40H31N
Molecular Weight525.70 g/mol
Exact Mass525.25
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C40H31N/c1-39(2)34-21-11-9-18-30(34)32-20-13-23-37(38(32)39)41-29-24-25-36-33(26-29)31-19-10-12-22-35(31)40(36,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-26,41H,1-2H3
InChIKeyRSVXUAKRHJMCSB-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156636262
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine (CID 142567692) is N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2cccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c21.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine?
The InChIKey is RSVXUAKRHJMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N/c1-39(2)34-21-11-9-18-30(34)32-20-13-23-37(38(32)39)41-29-24-25-36-33(26-29)31-19-10-12-22-35(31)40(36,27-14-5-3-6-15-27)28-16-7-4-8-17-28/h3-26,41H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine?
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine has a molecular weight of 525.70 g/mol, XLogP of 10.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 142567692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).