N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C49H37N — CID 142340678

IUPACN-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c6c4=CCCC=6c4ccccc4-5)c3)cc21
InChIInChI=1S/C49H37N/c1-49(2)46-21-9-8-18-41(46)42-27-26-37(31-47(42)49)50(35-24-22-33(23-25-35)32-12-4-3-5-13-32)36-15-10-14-34(30-36)38-28-29-45-40-17-7-6-16-39(40)44-20-11-19-43(38)48(44)45/h3-10,12-19,21-31H,11,20H2,1-2H3
InChIKeyGBGFWKLEQGWVDC-UHFFFAOYSA-N
MW639.84 g/mol
LogP11.55
Rot. Bonds5

About N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 142340678) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID142340678
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c6c4=CCCC=6c4ccccc4-5)c3)cc21
InChIInChI=1S/C49H37N/c1-49(2)46-21-9-8-18-41(46)42-27-26-37(31-47(42)49)50(35-24-22-33(23-25-35)32-12-4-3-5-13-32)36-15-10-14-34(30-36)38-28-29-45-40-17-7-6-16-39(40)44-20-11-19-43(38)48(44)45/h3-10,12-19,21-31H,11,20H2,1-2H3
InChIKeyGBGFWKLEQGWVDC-UHFFFAOYSA-N
XLogP11.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-1-amine
CID 122626226

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 142340678) is N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c6c4=CCCC=6c4ccccc4-5)c3)cc21.
What is the InChIKey of N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GBGFWKLEQGWVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)46-21-9-8-18-41(46)42-27-26-37(31-47(42)49)50(35-24-22-33(23-25-35)32-12-4-3-5-13-32)36-15-10-14-34(30-36)38-28-29-45-40-17-7-6-16-39(40)44-20-11-19-43(38)48(44)45/h3-10,12-19,21-31H,11,20H2,1-2H3.
What are the key properties of N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 639.84 g/mol, XLogP of 11.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydrofluoranthen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142340678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).