N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole

C120H77N11O3 — CID 165103492

IUPACN-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4oc5ccccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5cccc(-c6ccccc6)c5n5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3n3c2oc2ccccc23)cc1
InChIInChI=1S/2C41H26N4O.C38H25N3O/c1-4-13-27(14-5-1)32-19-12-20-33-36(41-45(37(32)33)34-21-10-11-22-35(34)46-41)28-23-25-31(26-24-28)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30;1-4-12-27(13-5-1)32-24-25-33-35(26-32)45-34-18-10-11-19-36(34)46-41(45)37(33)28-20-22-31(23-21-28)40-43-38(29-14-6-2-7-15-29)42-39(44-40)30-16-8-3-9-17-30;1-2-12-26(13-3-1)39(37-31-16-6-9-19-34(31)41-35-20-10-11-21-36(35)42-38(37)41)27-22-24-28(25-23-27)40-32-17-7-4-14-29(32)30-15-5-8-18-33(30)40/h2*1-26H;1-25H
InChIKeyYSVQLDDIMSXFSN-UHFFFAOYSA-N
MW1721.01 g/mol
LogP31.12
Rot. Bonds14

About N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole

N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole (PubChem CID 165103492) has the molecular formula C120H77N11O3 and a molecular weight of 1721.01 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole
PubChem CID165103492
Molecular FormulaC120H77N11O3
Molecular Weight1721.01 g/mol
Exact Mass1719.62
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4oc5ccccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5cccc(-c6ccccc6)c5n5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3n3c2oc2ccccc23)cc1
InChIInChI=1S/2C41H26N4O.C38H25N3O/c1-4-13-27(14-5-1)32-19-12-20-33-36(41-45(37(32)33)34-21-10-11-22-35(34)46-41)28-23-25-31(26-24-28)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30;1-4-12-27(13-5-1)32-24-25-33-35(26-32)45-34-18-10-11-19-36(34)46-41(45)37(33)28-20-22-31(23-21-28)40-43-38(29-14-6-2-7-15-29)42-39(44-40)30-16-8-3-9-17-30;1-2-12-26(13-3-1)39(37-31-16-6-9-19-34(31)41-35-20-10-11-21-36(35)42-38(37)41)27-22-24-28(25-23-27)40-32-17-7-4-14-29(32)30-15-5-8-18-33(30)40/h2*1-26H;1-25H
InChIKeyYSVQLDDIMSXFSN-UHFFFAOYSA-N
XLogP31.12
TPSA138.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.01
LogP ≤ 531.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole with MolForge

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Related Compounds

11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
N-(3-carbazol-9-ylphenyl)-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)phenanthren-2-amine
CID 153475756
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
CID 164970211
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782486
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-1-amine
CID 153475800
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole (CID 165103492) is N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole is c1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4oc5ccccc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5cccc(-c6ccccc6)c5n5c4oc4ccccc45)cc3)n2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3n3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole?
The InChIKey is YSVQLDDIMSXFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H26N4O.C38H25N3O/c1-4-13-27(14-5-1)32-19-12-20-33-36(41-45(37(32)33)34-21-10-11-22-35(34)46-41)28-23-25-31(26-24-28)40-43-38(29-15-6-2-7-16-29)42-39(44-40)30-17-8-3-9-18-30;1-4-12-27(13-5-1)32-24-25-33-35(26-32)45-34-18-10-11-19-36(34)46-41(45)37(33)28-20-22-31(23-21-28)40-43-38(29-14-6-2-7-15-29)42-39(44-40)30-16-8-3-9-17-30;1-2-12-26(13-3-1)39(37-31-16-6-9-19-34(31)41-35-20-10-11-21-36(35)42-38(37)41)27-22-24-28(25-23-27)40-32-17-7-4-14-29(32)30-15-5-8-18-33(30)40/h2*1-26H;1-25H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole?
N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole has a molecular weight of 1721.01 g/mol, XLogP of 31.12, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 165103492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).