N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

C50H35N — CID 121423904

IUPACN-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C50H35N/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)46-28-16-14-26-42(46)44-33-39(30-32-47(44)49)51-40-29-31-43-41-25-13-15-27-45(41)50(48(43)34-40,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-34,51H
InChIKeyNBMSZADTXMNEFN-UHFFFAOYSA-N
MW649.84 g/mol
LogP12.16
Rot. Bonds6

About N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine

N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 121423904) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
PubChem CID121423904
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C50H35N/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)46-28-16-14-26-42(46)44-33-39(30-32-47(44)49)51-40-29-31-43-41-25-13-15-27-45(41)50(48(43)34-40,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-34,51H
InChIKeyNBMSZADTXMNEFN-UHFFFAOYSA-N
XLogP12.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-(cyclohexen-1-yl)-9,9-diphenylfluoren-2-amine
CID 138581690
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692
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-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine (CID 121423904) is N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
The InChIKey is NBMSZADTXMNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36)46-28-16-14-26-42(46)44-33-39(30-32-47(44)49)51-40-29-31-43-41-25-13-15-27-45(41)50(48(43)34-40,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-34,51H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine?
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine has a molecular weight of 649.84 g/mol, XLogP of 12.16, 6 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-diphenylfluoren-2-amine is sourced from PubChem (CID 121423904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).