N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine

C52H43N — CID 139363650

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(C3=Cc4c(ccc5c4C(C)(C)c4ccccc4-5)CC3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C52H43N/c1-51(2)47-21-13-12-20-43(47)46-33-40(26-28-49(46)51)53(41-30-37(34-15-7-5-8-16-34)29-38(31-41)35-17-9-6-10-18-35)39-25-23-36-24-27-44-42-19-11-14-22-48(42)52(3,4)50(44)45(36)32-39/h5-22,24,26-33H,23,25H2,1-4H3
InChIKeyQPSMVHRFLUPOMH-UHFFFAOYSA-N
MW681.92 g/mol
LogP13.76
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine (PubChem CID 139363650) has the molecular formula C52H43N and a molecular weight of 681.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine
PubChem CID139363650
Molecular FormulaC52H43N
Molecular Weight681.92 g/mol
Exact Mass681.34
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(C3=Cc4c(ccc5c4C(C)(C)c4ccccc4-5)CC3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C52H43N/c1-51(2)47-21-13-12-20-43(47)46-33-40(26-28-49(46)51)53(41-30-37(34-15-7-5-8-16-34)29-38(31-41)35-17-9-6-10-18-35)39-25-23-36-24-27-44-42-19-11-14-22-48(42)52(3,4)50(44)45(36)32-39/h5-22,24,26-33H,23,25H2,1-4H3
InChIKeyQPSMVHRFLUPOMH-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.92
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 167133358
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
(3R)-4-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N'-diphenyl-4-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780003
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
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-(3,5-diphenylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453475
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine (CID 139363650) is N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine is CC1(C)c2ccccc2-c2cc(N(C3=Cc4c(ccc5c4C(C)(C)c4ccccc4-5)CC3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine?
The InChIKey is QPSMVHRFLUPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N/c1-51(2)47-21-13-12-20-43(47)46-33-40(26-28-49(46)51)53(41-30-37(34-15-7-5-8-16-34)29-38(31-41)35-17-9-6-10-18-35)39-25-23-36-24-27-44-42-19-11-14-22-48(42)52(3,4)50(44)45(36)32-39/h5-22,24,26-33H,23,25H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine has a molecular weight of 681.92 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethyl-3,4-dihydrobenzo[a]fluoren-2-amine is sourced from PubChem (CID 139363650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).