N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine

C64H43N5 — CID 90182899

IUPACN,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccnc(-c3ccc(-n4c5ccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C64H43N5/c1-5-16-44(17-6-1)59-38-39-65-64(66-59)45-28-32-53(33-29-45)69-62-36-31-49(42-57(62)58-43-54(34-37-63(58)69)67(50-20-7-2-8-21-50)51-22-9-3-10-23-51)47-19-15-18-46(40-47)48-30-35-61-56(41-48)55-26-13-14-27-60(55)68(61)52-24-11-4-12-25-52/h1-43H
InChIKeyJRRXTEKTPGAPLH-UHFFFAOYSA-N
MW882.08 g/mol
LogP16.81
Rot. Bonds9

About N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine

N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine (PubChem CID 90182899) has the molecular formula C64H43N5 and a molecular weight of 882.08 g/mol. Its IUPAC name is N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
PubChem CID90182899
Molecular FormulaC64H43N5
Molecular Weight882.08 g/mol
Exact Mass881.35
IUPAC NameN,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccnc(-c3ccc(-n4c5ccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C64H43N5/c1-5-16-44(17-6-1)59-38-39-65-64(66-59)45-28-32-53(33-29-45)69-62-36-31-49(42-57(62)58-43-54(34-37-63(58)69)67(50-20-7-2-8-21-50)51-22-9-3-10-23-51)47-19-15-18-46(40-47)48-30-35-61-56(41-48)55-26-13-14-27-60(55)68(61)52-24-11-4-12-25-52/h1-43H
InChIKeyJRRXTEKTPGAPLH-UHFFFAOYSA-N
XLogP16.81
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.08
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182893
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161375689
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118029035
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine (CID 90182899) is N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine is c1ccc(-c2ccnc(-c3ccc(-n4c5ccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)n2)cc1.
What is the InChIKey of N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine?
The InChIKey is JRRXTEKTPGAPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5/c1-5-16-44(17-6-1)59-38-39-65-64(66-59)45-28-32-53(33-29-45)69-62-36-31-49(42-57(62)58-43-54(34-37-63(58)69)67(50-20-7-2-8-21-50)51-22-9-3-10-23-51)47-19-15-18-46(40-47)48-30-35-61-56(41-48)55-26-13-14-27-60(55)68(61)52-24-11-4-12-25-52/h1-43H.
What are the key properties of N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine?
N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine has a molecular weight of 882.08 g/mol, XLogP of 16.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 90182899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).