N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline

C66H44N4 — CID 20608008

IUPACN,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)68(61)52-37-29-47(30-38-52)45-25-33-49(34-26-45)67(51-41-43-54(44-42-51)70-65-23-11-5-17-59(65)60-18-6-12-24-66(60)70)50-35-27-46(28-36-50)48-31-39-53(40-32-48)69-63-21-9-3-15-57(63)58-16-4-10-22-64(58)69/h1-44H
InChIKeyUDRFQIRRHFGIJB-UHFFFAOYSA-N
MW893.11 g/mol
LogP17.78
Rot. Bonds8

About N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline

N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline (PubChem CID 20608008) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
PubChem CID20608008
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC NameN,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)68(61)52-37-29-47(30-38-52)45-25-33-49(34-26-45)67(51-41-43-54(44-42-51)70-65-23-11-5-17-59(65)60-18-6-12-24-66(60)70)50-35-27-46(28-36-50)48-31-39-53(40-32-48)69-63-21-9-3-15-57(63)58-16-4-10-22-64(58)69/h1-44H
InChIKeyUDRFQIRRHFGIJB-UHFFFAOYSA-N
XLogP17.78
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline?
The IUPAC name of N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline (CID 20608008) is N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline?
The canonical SMILES for N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline?
The InChIKey is UDRFQIRRHFGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-7-19-61-55(13-1)56-14-2-8-20-62(56)68(61)52-37-29-47(30-38-52)45-25-33-49(34-26-45)67(51-41-43-54(44-42-51)70-65-23-11-5-17-59(65)60-18-6-12-24-66(60)70)50-35-27-46(28-36-50)48-31-39-53(40-32-48)69-63-21-9-3-15-57(63)58-16-4-10-22-64(58)69/h1-44H.
What are the key properties of N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline?
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline has a molecular weight of 893.11 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline is sourced from PubChem (CID 20608008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).