4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline

C50H33N9 — CID 90060850

IUPAC4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
SMILESc1ccc(-n2ccc3c4c5cc(-c6ccc(N(c7ccc(-c8ncncn8)cc7)c7ccc(-c8ncncn8)cc7)cc6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C50H33N9/c1-3-7-38(8-4-1)57-28-27-43-45(57)25-26-47-48(43)44-29-37(17-24-46(44)59(47)39-9-5-2-6-10-39)34-11-18-40(19-12-34)58(41-20-13-35(14-21-41)49-53-30-51-31-54-49)42-22-15-36(16-23-42)50-55-32-52-33-56-50/h1-33H
InChIKeyUYLUGZMYVUJJRA-UHFFFAOYSA-N
MW759.88 g/mol
LogP11.57
Rot. Bonds8

About 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline

4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline (PubChem CID 90060850) has the molecular formula C50H33N9 and a molecular weight of 759.88 g/mol. Its IUPAC name is 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
PubChem CID90060850
Molecular FormulaC50H33N9
Molecular Weight759.88 g/mol
Exact Mass759.29
IUPAC Name4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
SMILESc1ccc(-n2ccc3c4c5cc(-c6ccc(N(c7ccc(-c8ncncn8)cc7)c7ccc(-c8ncncn8)cc7)cc6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C50H33N9/c1-3-7-38(8-4-1)57-28-27-43-45(57)25-26-47-48(43)44-29-37(17-24-46(44)59(47)39-9-5-2-6-10-39)34-11-18-40(19-12-34)58(41-20-13-35(14-21-41)49-53-30-51-31-54-49)42-22-15-36(16-23-42)50-55-32-52-33-56-50/h1-33H
InChIKeyUYLUGZMYVUJJRA-UHFFFAOYSA-N
XLogP11.57
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.88
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 90091085
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90061020
4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
CID 90061264
1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
CID 90061123
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90060969
1,10-diphenyl-N,N-bis(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
CID 159420753
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
17-phenyl-9-[4-(5-phenylpyrimidin-2-yl)phenyl]-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223464
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The IUPAC name of 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline (CID 90060850) is 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The canonical SMILES for 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline is c1ccc(-n2ccc3c4c5cc(-c6ccc(N(c7ccc(-c8ncncn8)cc7)c7ccc(-c8ncncn8)cc7)cc6)ccc5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The InChIKey is UYLUGZMYVUJJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N9/c1-3-7-38(8-4-1)57-28-27-43-45(57)25-26-47-48(43)44-29-37(17-24-46(44)59(47)39-9-5-2-6-10-39)34-11-18-40(19-12-34)58(41-20-13-35(14-21-41)49-53-30-51-31-54-49)42-22-15-36(16-23-42)50-55-32-52-33-56-50/h1-33H.
What are the key properties of 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline?
4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline has a molecular weight of 759.88 g/mol, XLogP of 11.57, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline is sourced from PubChem (CID 90060850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).