N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline

C73H50N2 — CID 118337165

IUPACN-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C73H50N2/c1-6-22-51(23-7-1)63-46-43-59(49-67(63)52-24-8-2-9-25-52)74(57-30-14-5-15-31-57)58-41-38-53(39-42-58)61-32-16-17-33-62(61)54-40-45-66-65-35-19-21-37-71(65)75(72(66)48-54)60-44-47-70-68(50-60)64-34-18-20-36-69(64)73(70,55-26-10-3-11-27-55)56-28-12-4-13-29-56/h1-50H
InChIKeyDASLSZUGXNWNIB-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.28
Rot. Bonds10

About N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline

N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (PubChem CID 118337165) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.

Molecular Properties

Compound NameN-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
PubChem CID118337165
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC NameN-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C73H50N2/c1-6-22-51(23-7-1)63-46-43-59(49-67(63)52-24-8-2-9-25-52)74(57-30-14-5-15-31-57)58-41-38-53(39-42-58)61-32-16-17-33-62(61)54-40-45-66-65-35-19-21-37-71(65)75(72(66)48-54)60-44-47-70-68(50-60)64-34-18-20-36-69(64)73(70,55-26-10-3-11-27-55)56-28-12-4-13-29-56/h1-50H
InChIKeyDASLSZUGXNWNIB-UHFFFAOYSA-N
XLogP19.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.22
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(3-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 161329368
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118265716
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337172
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505787
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121423893
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The IUPAC name of N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (CID 118337165) is N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.
What is the SMILES notation for N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The canonical SMILES for N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
The InChIKey is DASLSZUGXNWNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-6-22-51(23-7-1)63-46-43-59(49-67(63)52-24-8-2-9-25-52)74(57-30-14-5-15-31-57)58-41-38-53(39-42-58)61-32-16-17-33-62(61)54-40-45-66-65-35-19-21-37-71(65)75(72(66)48-54)60-44-47-70-68(50-60)64-34-18-20-36-69(64)73(70,55-26-10-3-11-27-55)56-28-12-4-13-29-56/h1-50H.
What are the key properties of N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?
N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline has a molecular weight of 955.22 g/mol, XLogP of 19.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is sourced from PubChem (CID 118337165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).