N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C57H41FN2 — CID 134399176

IUPACN-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5c4cc(F)c4ccccc45)cc3)cc21
InChIInChI=1S/C57H41FN2/c1-57(2)51-25-15-14-22-46(51)47-35-34-45(36-52(47)57)59(43-30-26-39(27-31-43)38-16-6-3-7-17-38)44-32-28-40(29-33-44)54-50-37-53(58)48-23-12-13-24-49(48)56(50)60(42-20-10-5-11-21-42)55(54)41-18-8-4-9-19-41/h3-37H,1-2H3
InChIKeyWYVWIOSCEJBXGP-UHFFFAOYSA-N
MW772.97 g/mol
LogP15.70
Rot. Bonds7

About N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 134399176) has the molecular formula C57H41FN2 and a molecular weight of 772.97 g/mol. Its IUPAC name is N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID134399176
Molecular FormulaC57H41FN2
Molecular Weight772.97 g/mol
Exact Mass772.33
IUPAC NameN-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5c4cc(F)c4ccccc45)cc3)cc21
InChIInChI=1S/C57H41FN2/c1-57(2)51-25-15-14-22-46(51)47-35-34-45(36-52(47)57)59(43-30-26-39(27-31-43)38-16-6-3-7-17-38)44-32-28-40(29-33-44)54-50-37-53(58)48-23-12-13-24-49(48)56(50)60(42-20-10-5-11-21-42)55(54)41-18-8-4-9-19-41/h3-37H,1-2H3
InChIKeyWYVWIOSCEJBXGP-UHFFFAOYSA-N
XLogP15.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.97
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399215
N-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
N-[4-(6-fluoro-1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445497
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine
CID 123977635
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-5-yl)phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]carbazol-3-amine;N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 161042212

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 134399176) is N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5c4cc(F)c4ccccc45)cc3)cc21.
What is the InChIKey of N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is WYVWIOSCEJBXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41FN2/c1-57(2)51-25-15-14-22-46(51)47-35-34-45(36-52(47)57)59(43-30-26-39(27-31-43)38-16-6-3-7-17-38)44-32-28-40(29-33-44)54-50-37-53(58)48-23-12-13-24-49(48)56(50)60(42-20-10-5-11-21-42)55(54)41-18-8-4-9-19-41/h3-37H,1-2H3.
What are the key properties of N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 772.97 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 134399176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).