4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline

C69H49N3 — CID 118289325

IUPAC4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc43)cc21
InChIInChI=1S/C69H49N3/c1-69(2)62-29-15-12-25-57(62)58-40-38-55(45-63(58)69)72-64-30-16-13-26-59(64)60-39-35-47(44-67(60)72)49-41-48(46-33-36-54(37-34-46)70(51-19-6-3-7-20-51)52-21-8-4-9-22-52)42-50(43-49)56-28-18-32-66-68(56)61-27-14-17-31-65(61)71(66)53-23-10-5-11-24-53/h3-45H,1-2H3
InChIKeyJLAYFEVHRRSMPH-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.66
Rot. Bonds8

About 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline

4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118289325) has the molecular formula C69H49N3 and a molecular weight of 920.17 g/mol. Its IUPAC name is 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
PubChem CID118289325
Molecular FormulaC69H49N3
Molecular Weight920.17 g/mol
Exact Mass919.39
IUPAC Name4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc43)cc21
InChIInChI=1S/C69H49N3/c1-69(2)62-29-15-12-25-57(62)58-40-38-55(45-63(58)69)72-64-30-16-13-26-59(64)60-39-35-47(44-67(60)72)49-41-48(46-33-36-54(37-34-46)70(51-19-6-3-7-20-51)52-21-8-4-9-22-52)42-50(43-49)56-28-18-32-66-68(56)61-27-14-17-31-65(61)71(66)53-23-10-5-11-24-53/h3-45H,1-2H3
InChIKeyJLAYFEVHRRSMPH-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

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213136
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline (CID 118289325) is 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc43)cc21.
What is the InChIKey of 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is JLAYFEVHRRSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3/c1-69(2)62-29-15-12-25-57(62)58-40-38-55(45-63(58)69)72-64-30-16-13-26-59(64)60-39-35-47(44-67(60)72)49-41-48(46-33-36-54(37-34-46)70(51-19-6-3-7-20-51)52-21-8-4-9-22-52)42-50(43-49)56-28-18-32-66-68(56)61-27-14-17-31-65(61)71(66)53-23-10-5-11-24-53/h3-45H,1-2H3.
What are the key properties of 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline?
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-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 4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-4-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118289325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).