12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C71H44N6 — CID 123785802

IUPAC12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C71H44N6/c1-3-19-44(20-4-1)59-43-47(74-61-30-14-8-24-50(61)51-25-9-15-31-62(51)74)35-36-48(59)45-41-66(76-64-33-17-11-26-52(64)56-38-37-55-49-23-7-13-29-60(49)72-68(55)69(56)76)73-67(42-45)77-65-34-18-12-28-54(65)58-40-39-57-53-27-10-16-32-63(53)75(70(57)71(58)77)46-21-5-2-6-22-46/h1-43,72H
InChIKeyWRYVELWWDVRVPG-UHFFFAOYSA-N
MW981.18 g/mol
LogP18.44
Rot. Bonds6

About 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 123785802) has the molecular formula C71H44N6 and a molecular weight of 981.18 g/mol. Its IUPAC name is 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID123785802
Molecular FormulaC71H44N6
Molecular Weight981.18 g/mol
Exact Mass980.36
IUPAC Name12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C71H44N6/c1-3-19-44(20-4-1)59-43-47(74-61-30-14-8-24-50(61)51-25-9-15-31-62(51)74)35-36-48(59)45-41-66(76-64-33-17-11-26-52(64)56-38-37-55-49-23-7-13-29-60(49)72-68(55)69(56)76)73-67(42-45)77-65-34-18-12-28-54(65)58-40-39-57-53-27-10-16-32-63(53)75(70(57)71(58)77)46-21-5-2-6-22-46/h1-43,72H
InChIKeyWRYVELWWDVRVPG-UHFFFAOYSA-N
XLogP18.44
TPSA48.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.18
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(4-carbazol-9-ylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 88887877
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
CID 158612011
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 159800613
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 123785802) is 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is WRYVELWWDVRVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N6/c1-3-19-44(20-4-1)59-43-47(74-61-30-14-8-24-50(61)51-25-9-15-31-62(51)74)35-36-48(59)45-41-66(76-64-33-17-11-26-52(64)56-38-37-55-49-23-7-13-29-60(49)72-68(55)69(56)76)73-67(42-45)77-65-34-18-12-28-54(65)58-40-39-57-53-27-10-16-32-63(53)75(70(57)71(58)77)46-21-5-2-6-22-46/h1-43,72H.
What are the key properties of 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 981.18 g/mol, XLogP of 18.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 123785802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).