N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine

C73H51N3O — CID 58161610

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c56)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C73H51N3O/c1-73(2)64-32-17-15-28-57(64)58-40-38-55(47-65(58)73)74(54-39-43-67-63(46-54)59-29-16-18-33-66(59)75(67)51-24-11-5-12-25-51)53-36-34-48(35-37-53)68-44-45-69(77-68)60-30-19-31-61-56(60)41-42-62-70(49-20-7-3-8-21-49)71(50-22-9-4-10-23-50)76(72(61)62)52-26-13-6-14-27-52/h3-47H,1-2H3
InChIKeyDPHBTTJOGKLORT-UHFFFAOYSA-N
MW986.23 g/mol
LogP19.92
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine (PubChem CID 58161610) has the molecular formula C73H51N3O and a molecular weight of 986.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine
PubChem CID58161610
Molecular FormulaC73H51N3O
Molecular Weight986.23 g/mol
Exact Mass985.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c56)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C73H51N3O/c1-73(2)64-32-17-15-28-57(64)58-40-38-55(47-65(58)73)74(54-39-43-67-63(46-54)59-29-16-18-33-66(59)75(67)51-24-11-5-12-25-51)53-36-34-48(35-37-53)68-44-45-69(77-68)60-30-19-31-61-56(60)41-42-62-70(49-20-7-3-8-21-49)71(50-22-9-4-10-23-50)76(72(61)62)52-26-13-6-14-27-52/h3-47H,1-2H3
InChIKeyDPHBTTJOGKLORT-UHFFFAOYSA-N
XLogP19.92
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.23
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline
CID 158854741
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
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-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
N-(9,9-dimethylfluoren-2-yl)-1,2,3-triphenyl-N-(4-phenylphenyl)phenanthro[9,10-b]pyrrol-6-amine;9,9-dimethyl-N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(1,3-diphenylpyrrolo[1,2-f]phenanthridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161137315

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine (CID 58161610) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c56)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine?
The InChIKey is DPHBTTJOGKLORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3O/c1-73(2)64-32-17-15-28-57(64)58-40-38-55(47-65(58)73)74(54-39-43-67-63(46-54)59-29-16-18-33-66(59)75(67)51-24-11-5-12-25-51)53-36-34-48(35-37-53)68-44-45-69(77-68)60-30-19-31-61-56(60)41-42-62-70(49-20-7-3-8-21-49)71(50-22-9-4-10-23-50)76(72(61)62)52-26-13-6-14-27-52/h3-47H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine has a molecular weight of 986.23 g/mol, XLogP of 19.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 58161610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).