2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine

C53H31N7O — CID 163430992

IUPAC2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6cccc7ccccc67)c6c(n5)oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C53H31N7O/c1-3-17-33(18-4-1)49-55-50(34-19-5-2-6-20-34)57-53(56-49)60-41-27-12-9-23-36(41)38-30-31-43-45(48(38)60)39-24-10-13-28-42(39)59(43)52-54-47(37-26-15-21-32-16-7-8-22-35(32)37)46-40-25-11-14-29-44(40)61-51(46)58-52/h1-31H
InChIKeyAQLVKHYNTAAJHZ-UHFFFAOYSA-N
MW781.88 g/mol
LogP12.91
Rot. Bonds5

About 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine

2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 163430992) has the molecular formula C53H31N7O and a molecular weight of 781.88 g/mol. Its IUPAC name is 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID163430992
Molecular FormulaC53H31N7O
Molecular Weight781.88 g/mol
Exact Mass781.26
IUPAC Name2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6cccc7ccccc67)c6c(n5)oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C53H31N7O/c1-3-17-33(18-4-1)49-55-50(34-19-5-2-6-20-34)57-53(56-49)60-41-27-12-9-23-36(41)38-30-31-43-45(48(38)60)39-24-10-13-28-42(39)59(43)52-54-47(37-26-15-21-32-16-7-8-22-35(32)37)46-40-25-11-14-29-44(40)61-51(46)58-52/h1-31H
InChIKeyAQLVKHYNTAAJHZ-UHFFFAOYSA-N
XLogP12.91
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.88
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

4-phenyl-2-(12-pyren-1-ylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 163619640
2-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
CID 155283193
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
CID 162472983
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 140957587
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821

Frequently Asked Questions

What is the IUPAC name of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine (CID 163430992) is 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6cccc7ccccc67)c6c(n5)oc5ccccc56)c43)n2)cc1.
What is the InChIKey of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is AQLVKHYNTAAJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N7O/c1-3-17-33(18-4-1)49-55-50(34-19-5-2-6-20-34)57-53(56-49)60-41-27-12-9-23-36(41)38-30-31-43-45(48(38)60)39-24-10-13-28-42(39)59(43)52-54-47(37-26-15-21-32-16-7-8-22-35(32)37)46-40-25-11-14-29-44(40)61-51(46)58-52/h1-31H.
What are the key properties of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine?
2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 781.88 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 163430992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).