N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine

C53H45N — CID 137388118

IUPACN-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)C3(C)C=CC=CC3C4(C)C)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C53H45N/c1-51(2)46-25-23-41(33-45(46)44-31-37-20-12-13-21-38(37)32-48(44)51)54(42-24-26-47-49(34-42)53(5)27-15-14-22-50(53)52(47,3)4)43-29-39(35-16-8-6-9-17-35)28-40(30-43)36-18-10-7-11-19-36/h6-34,50H,1-5H3
InChIKeyAMRKZBBNIHVTDD-UHFFFAOYSA-N
MW695.95 g/mol
LogP14.24
Rot. Bonds5

About N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine

N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine (PubChem CID 137388118) has the molecular formula C53H45N and a molecular weight of 695.95 g/mol. Its IUPAC name is N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine
PubChem CID137388118
Molecular FormulaC53H45N
Molecular Weight695.95 g/mol
Exact Mass695.36
IUPAC NameN-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine
SMILESCC1(C)c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)C3(C)C=CC=CC3C4(C)C)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C53H45N/c1-51(2)46-25-23-41(33-45(46)44-31-37-20-12-13-21-38(37)32-48(44)51)54(42-24-26-47-49(34-42)53(5)27-15-14-22-50(53)52(47,3)4)43-29-39(35-16-8-6-9-17-35)28-40(30-43)36-18-10-7-11-19-36/h6-34,50H,1-5H3
InChIKeyAMRKZBBNIHVTDD-UHFFFAOYSA-N
XLogP14.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.95
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 23561347
N-(4-chrysen-6-ylphenyl)-4b,9,9-trimethyl-N-(4-naphthalen-1-ylphenyl)-8aH-fluoren-3-amine
CID 170139102
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 164774857
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine
CID 146532521
N-(11,11-dimethylbenzo[a]fluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 159039363

Frequently Asked Questions

What is the IUPAC name of N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine?
The IUPAC name of N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine (CID 137388118) is N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine.
What is the SMILES notation for N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine?
The canonical SMILES for N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine is CC1(C)c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)C3(C)C=CC=CC3C4(C)C)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine?
The InChIKey is AMRKZBBNIHVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N/c1-51(2)46-25-23-41(33-45(46)44-31-37-20-12-13-21-38(37)32-48(44)51)54(42-24-26-47-49(34-42)53(5)27-15-14-22-50(53)52(47,3)4)43-29-39(35-16-8-6-9-17-35)28-40(30-43)36-18-10-7-11-19-36/h6-34,50H,1-5H3.
What are the key properties of N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine?
N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine has a molecular weight of 695.95 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4b,9,9-trimethyl-8aH-fluoren-3-yl)-N-(3,5-diphenylphenyl)-11,11-dimethylbenzo[b]fluoren-3-amine is sourced from PubChem (CID 137388118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).