9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine

C48H42N2 — CID 168810581

IUPAC9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3
InChIKeyVLOMCYSYDGCWOF-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.26
Rot. Bonds8

About 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine (PubChem CID 168810581) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
PubChem CID168810581
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3
InChIKeyVLOMCYSYDGCWOF-UHFFFAOYSA-N
XLogP13.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89074314
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine (CID 168810581) is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine is CC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The InChIKey is VLOMCYSYDGCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine has a molecular weight of 646.88 g/mol, XLogP of 13.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168810581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).