5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine

C64H43N5 — CID 122461290

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc2)cc1
InChIInChI=1S/C64H43N5/c1-6-19-44(20-7-1)46-33-35-51(36-34-46)67(52-30-18-27-49(39-52)45-21-8-2-9-22-45)53-37-38-55-57-41-56-54-31-16-17-32-60(54)68(50-28-14-5-15-29-50)62(56)43-63(57)69(61(55)40-53)64-65-58(47-23-10-3-11-24-47)42-59(66-64)48-25-12-4-13-26-48/h1-43H
InChIKeyBEPNJMYJMKMLOC-UHFFFAOYSA-N
MW882.08 g/mol
LogP16.81
Rot. Bonds9

About 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine

5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine (PubChem CID 122461290) has the molecular formula C64H43N5 and a molecular weight of 882.08 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine
PubChem CID122461290
Molecular FormulaC64H43N5
Molecular Weight882.08 g/mol
Exact Mass881.35
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc2)cc1
InChIInChI=1S/C64H43N5/c1-6-19-44(20-7-1)46-33-35-51(36-34-46)67(52-30-18-27-49(39-52)45-21-8-2-9-22-45)53-37-38-55-57-41-56-54-31-16-17-32-60(54)68(50-28-14-5-15-29-50)62(56)43-63(57)69(61(55)40-53)64-65-58(47-23-10-3-11-24-47)42-59(66-64)48-25-12-4-13-26-48/h1-43H
InChIKeyBEPNJMYJMKMLOC-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-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118506889
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
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162220599
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine (CID 122461290) is 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5cc6c7ccccc7n(-c7ccccc7)c6cc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)cc2)cc1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine?
The InChIKey is BEPNJMYJMKMLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5/c1-6-19-44(20-7-1)46-33-35-51(36-34-46)67(52-30-18-27-49(39-52)45-21-8-2-9-22-45)53-37-38-55-57-41-56-54-31-16-17-32-60(54)68(50-28-14-5-15-29-50)62(56)43-63(57)69(61(55)40-53)64-65-58(47-23-10-3-11-24-47)42-59(66-64)48-25-12-4-13-26-48/h1-43H.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine?
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]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 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine is sourced from PubChem (CID 122461290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).