5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole

C47H29N5 — CID 153465705

IUPAC5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6cc(-c7cnc8ccccc8n7)ccc6c6cc7ccccc7cc65)cc43)c2)cc1
InChIInChI=1S/C47H29N5/c1-2-10-30(11-3-1)33-22-23-48-47(27-33)52-43-17-9-6-14-36(43)37-21-19-35(28-46(37)52)51-44-26-34(42-29-49-40-15-7-8-16-41(40)50-42)18-20-38(44)39-24-31-12-4-5-13-32(31)25-45(39)51/h1-29H
InChIKeyMKZWWNABCOFNDA-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole

5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole (PubChem CID 153465705) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
PubChem CID153465705
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
SMILESc1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6cc(-c7cnc8ccccc8n7)ccc6c6cc7ccccc7cc65)cc43)c2)cc1
InChIInChI=1S/C47H29N5/c1-2-10-30(11-3-1)33-22-23-48-47(27-33)52-43-17-9-6-14-36(43)37-21-19-35(28-46(37)52)51-44-26-34(42-29-49-40-15-7-8-16-41(40)50-42)18-20-38(44)39-24-31-12-4-5-13-32(31)25-45(39)51/h1-29H
InChIKeyMKZWWNABCOFNDA-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(9-cinnolin-3-ylcarbazol-2-yl)-3-pyrazin-2-ylbenzo[b]carbazole
CID 153465693
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 160965980
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 167613892
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
CID 139361389
5-phenyl-11-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-(3-phenyl-4-quinoxalin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-(4-phenyl-6-quinoxalin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-quinoxalin-2-ylphenyl)phenyl]indolo[3,2-b]carbazole
CID 159661492
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 140944165
26-[4-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432708

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole?
The IUPAC name of 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole (CID 153465705) is 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole is c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6cc(-c7cnc8ccccc8n7)ccc6c6cc7ccccc7cc65)cc43)c2)cc1.
What is the InChIKey of 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole?
The InChIKey is MKZWWNABCOFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-2-10-30(11-3-1)33-22-23-48-47(27-33)52-43-17-9-6-14-36(43)37-21-19-35(28-46(37)52)51-44-26-34(42-29-49-40-15-7-8-16-41(40)50-42)18-20-38(44)39-24-31-12-4-5-13-32(31)25-45(39)51/h1-29H.
What are the key properties of 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole?
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole is sourced from PubChem (CID 153465705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).