3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C110H70N8O2 — CID 165054175

IUPAC3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N4O.C49H30N4O/c1-5-15-41(16-6-1)43-25-32-49(33-26-43)65(50-34-27-44(28-35-50)42-17-7-2-8-18-42)51-36-29-45(30-37-51)48-31-38-54-56(39-48)66-57-40-55(52-23-13-14-24-53(52)58(54)57)61-63-59(46-19-9-3-10-20-46)62-60(64-61)47-21-11-4-12-22-47;1-4-14-31(15-5-1)47-50-48(32-16-6-2-7-17-32)52-49(51-47)41-30-45-46(38-22-11-10-20-36(38)41)39-26-24-34(29-44(39)54-45)33-25-27-43-40(28-33)37-21-12-13-23-42(37)53(43)35-18-8-3-9-19-35/h1-40H;1-30H
InChIKeyQDIBLMGYMJNZTR-UHFFFAOYSA-N
MW1535.82 g/mol
LogP29.09
Rot. Bonds14

About 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 165054175) has the molecular formula C110H70N8O2 and a molecular weight of 1535.82 g/mol. Its IUPAC name is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID165054175
Molecular FormulaC110H70N8O2
Molecular Weight1535.82 g/mol
Exact Mass1534.56
IUPAC Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N4O.C49H30N4O/c1-5-15-41(16-6-1)43-25-32-49(33-26-43)65(50-34-27-44(28-35-50)42-17-7-2-8-18-42)51-36-29-45(30-37-51)48-31-38-54-56(39-48)66-57-40-55(52-23-13-14-24-53(52)58(54)57)61-63-59(46-19-9-3-10-20-46)62-60(64-61)47-21-11-4-12-22-47;1-4-14-31(15-5-1)47-50-48(32-16-6-2-7-17-32)52-49(51-47)41-30-45-46(38-22-11-10-20-36(38)41)39-26-24-34(29-44(39)54-45)33-25-27-43-40(28-33)37-21-12-13-23-42(37)53(43)35-18-8-3-9-19-35/h1-40H;1-30H
InChIKeyQDIBLMGYMJNZTR-UHFFFAOYSA-N
XLogP29.09
TPSA111.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001535.82
LogP ≤ 529.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
9-phenyl-3-[4-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 168767881
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
3,9-diphenyl-6-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768833

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 165054175) is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc6c45)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QDIBLMGYMJNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O.C49H30N4O/c1-5-15-41(16-6-1)43-25-32-49(33-26-43)65(50-34-27-44(28-35-50)42-17-7-2-8-18-42)51-36-29-45(30-37-51)48-31-38-54-56(39-48)66-57-40-55(52-23-13-14-24-53(52)58(54)57)61-63-59(46-19-9-3-10-20-46)62-60(64-61)47-21-11-4-12-22-47;1-4-14-31(15-5-1)47-50-48(32-16-6-2-7-17-32)52-49(51-47)41-30-45-46(38-22-11-10-20-36(38)41)39-26-24-34(29-44(39)54-45)33-25-27-43-40(28-33)37-21-12-13-23-42(37)53(43)35-18-8-3-9-19-35/h1-40H;1-30H.
What are the key properties of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1535.82 g/mol, XLogP of 29.09, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 165054175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).