3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

C69H49N3 — CID 118289088

IUPAC3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C69H49N3/c1-69(2)63-30-15-12-27-57(63)60-45-56(35-36-64(60)69)72-66-32-17-14-29-59(66)62-44-48(34-38-68(62)72)51-40-49(46-19-18-26-55(42-46)70(52-20-6-3-7-21-52)53-22-8-4-9-23-53)39-50(41-51)47-33-37-67-61(43-47)58-28-13-16-31-65(58)71(67)54-24-10-5-11-25-54/h3-45H,1-2H3
InChIKeyJIZYXRSOHGDIMQ-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.66
Rot. Bonds8

About 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118289088) has the molecular formula C69H49N3 and a molecular weight of 920.17 g/mol. Its IUPAC name is 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
PubChem CID118289088
Molecular FormulaC69H49N3
Molecular Weight920.17 g/mol
Exact Mass919.39
IUPAC Name3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C69H49N3/c1-69(2)63-30-15-12-27-57(63)60-45-56(35-36-64(60)69)72-66-32-17-14-29-59(66)62-44-48(34-38-68(62)72)51-40-49(46-19-18-26-55(42-46)70(52-20-6-3-7-21-52)53-22-8-4-9-23-53)39-50(41-51)47-33-37-67-61(43-47)58-28-13-16-31-65(58)71(67)54-24-10-5-11-25-54/h3-45H,1-2H3
InChIKeyJIZYXRSOHGDIMQ-UHFFFAOYSA-N
XLogP18.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (CID 118289088) is 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5cc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc43)ccc21.
What is the InChIKey of 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is JIZYXRSOHGDIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3/c1-69(2)63-30-15-12-27-57(63)60-45-56(35-36-64(60)69)72-66-32-17-14-29-59(66)62-44-48(34-38-68(62)72)51-40-49(46-19-18-26-55(42-46)70(52-20-6-3-7-21-52)53-22-8-4-9-23-53)39-50(41-51)47-33-37-67-61(43-47)58-28-13-16-31-65(58)71(67)54-24-10-5-11-25-54/h3-45H,1-2H3.
What are the key properties of 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 920.17 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118289088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).