N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine

C52H39NO — CID 167340346

IUPACN-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C52H39NO/c1-51(2)47-24-14-12-22-43(47)45-32-30-41(34-49(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)42-31-33-46-44-23-13-15-25-48(44)52(54-50(46)35-42,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-35H,1-2H3
InChIKeyYRRVIQDDEVEUHZ-UHFFFAOYSA-N
MW693.89 g/mol
LogP13.48
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine

N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine (PubChem CID 167340346) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
PubChem CID167340346
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C52H39NO/c1-51(2)47-24-14-12-22-43(47)45-32-30-41(34-49(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)42-31-33-46-44-23-13-15-25-48(44)52(54-50(46)35-42,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-35H,1-2H3
InChIKeyYRRVIQDDEVEUHZ-UHFFFAOYSA-N
XLogP13.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340414
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340404
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine
CID 142588894
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine (CID 167340346) is N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine?
The InChIKey is YRRVIQDDEVEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)47-24-14-12-22-43(47)45-32-30-41(34-49(45)51)53(40-28-26-37(27-29-40)36-16-6-3-7-17-36)42-31-33-46-44-23-13-15-25-48(44)52(54-50(46)35-42,38-18-8-4-9-19-38)39-20-10-5-11-21-39/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine has a molecular weight of 693.89 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine is sourced from PubChem (CID 167340346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).