9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole

C137H90N12 — CID 160854312

IUPAC9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)cc3)n2)cc1
InChIInChI=1S/C53H34N4.C45H30N4.C39H26N4/c1-2-13-39(14-3-1)46-18-10-20-49-50(46)47-17-8-9-19-48(47)57(49)45-31-29-38(30-32-45)37-21-25-40(26-22-37)51-54-52(43-27-23-35-11-4-6-15-41(35)33-43)56-53(55-51)44-28-24-36-12-5-7-16-42(36)34-44;1-4-13-33(14-5-1)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-29-27-32(28-30-37)31-23-25-36(26-24-31)45-47-43(34-15-6-2-7-16-34)46-44(48-45)35-17-8-3-9-18-35;1-4-12-27(13-5-1)31-22-25-36-34(26-31)33-18-10-11-19-35(33)43(36)32-23-20-30(21-24-32)39-41-37(28-14-6-2-7-15-28)40-38(42-39)29-16-8-3-9-17-29/h1-34H;1-30H;1-26H
InChIKeySJRBILXRBUCCOG-UHFFFAOYSA-N
MW1904.31 g/mol
LogP34.55
Rot. Bonds17

About 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole

9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole (PubChem CID 160854312) has the molecular formula C137H90N12 and a molecular weight of 1904.31 g/mol. Its IUPAC name is 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
PubChem CID160854312
Molecular FormulaC137H90N12
Molecular Weight1904.31 g/mol
Exact Mass1902.74
IUPAC Name9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)cc3)n2)cc1
InChIInChI=1S/C53H34N4.C45H30N4.C39H26N4/c1-2-13-39(14-3-1)46-18-10-20-49-50(46)47-17-8-9-19-48(47)57(49)45-31-29-38(30-32-45)37-21-25-40(26-22-37)51-54-52(43-27-23-35-11-4-6-15-41(35)33-43)56-53(55-51)44-28-24-36-12-5-7-16-42(36)34-44;1-4-13-33(14-5-1)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-29-27-32(28-30-37)31-23-25-36(26-24-31)45-47-43(34-15-6-2-7-16-34)46-44(48-45)35-17-8-3-9-18-35;1-4-12-27(13-5-1)31-22-25-36-34(26-31)33-18-10-11-19-35(33)43(36)32-23-20-30(21-24-32)39-41-37(28-14-6-2-7-15-28)40-38(42-39)29-16-8-3-9-17-29/h1-34H;1-30H;1-26H
InChIKeySJRBILXRBUCCOG-UHFFFAOYSA-N
XLogP34.55
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.31
LogP ≤ 534.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole?
The IUPAC name of 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole (CID 160854312) is 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole.
What is the SMILES notation for 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole?
The canonical SMILES for 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole?
The InChIKey is SJRBILXRBUCCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C45H30N4.C39H26N4/c1-2-13-39(14-3-1)46-18-10-20-49-50(46)47-17-8-9-19-48(47)57(49)45-31-29-38(30-32-45)37-21-25-40(26-22-37)51-54-52(43-27-23-35-11-4-6-15-41(35)33-43)56-53(55-51)44-28-24-36-12-5-7-16-42(36)34-44;1-4-13-33(14-5-1)38-20-12-21-40-39-19-10-11-22-41(39)49(42(38)40)37-29-27-32(28-30-37)31-23-25-36(26-24-31)45-47-43(34-15-6-2-7-16-34)46-44(48-45)35-17-8-3-9-18-35;1-4-12-27(13-5-1)31-22-25-36-34(26-31)33-18-10-11-19-35(33)43(36)32-23-20-30(21-24-32)39-41-37(28-14-6-2-7-15-28)40-38(42-39)29-16-8-3-9-17-29/h1-34H;1-30H;1-26H.
What are the key properties of 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole?
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole has a molecular weight of 1904.31 g/mol, XLogP of 34.55, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole is sourced from PubChem (CID 160854312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).