9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine

C149H100N10 — CID 163779111

IUPAC9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1.Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c(-c3ccccc3)c3ccccc34)n2)cc1
InChIInChI=1S/C53H34N4.2C48H33N3/c1-4-16-35(17-5-1)49-45-25-11-10-22-41(45)42-33-30-39(53-55-51(37-18-6-2-7-19-37)54-52(56-53)38-20-8-3-9-21-38)34-46(42)50(49)36-28-31-40(32-29-36)57-47-26-14-12-23-43(47)44-24-13-15-27-48(44)57;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-43-31-39(29-30-41(43)40-19-11-12-20-42(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-42-30-29-39(31-43(42)40-19-11-12-20-41(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38/h1-34H;2*2-31H,1H3
InChIKeyMNBLHYZHZPXBOS-UHFFFAOYSA-N
MW2030.51 g/mol
LogP38.59
Rot. Bonds18

About 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine

9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163779111) has the molecular formula C149H100N10 and a molecular weight of 2030.51 g/mol. Its IUPAC name is 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID163779111
Molecular FormulaC149H100N10
Molecular Weight2030.51 g/mol
Exact Mass2028.81
IUPAC Name9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1.Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c(-c3ccccc3)c3ccccc34)n2)cc1
InChIInChI=1S/C53H34N4.2C48H33N3/c1-4-16-35(17-5-1)49-45-25-11-10-22-41(45)42-33-30-39(53-55-51(37-18-6-2-7-19-37)54-52(56-53)38-20-8-3-9-21-38)34-46(42)50(49)36-28-31-40(32-29-36)57-47-26-14-12-23-43(47)44-24-13-15-27-48(44)57;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-43-31-39(29-30-41(43)40-19-11-12-20-42(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-42-30-29-39(31-43(42)40-19-11-12-20-41(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38/h1-34H;2*2-31H,1H3
InChIKeyMNBLHYZHZPXBOS-UHFFFAOYSA-N
XLogP38.59
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002030.51
LogP ≤ 538.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174244011
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324847
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158366423
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole
CID 170542486
9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-carbazol-9-yl-7-(3,6-diphenylcarbazol-9-yl)carbazole
CID 88878767
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-[4-[3-[4-(3-methylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139356642
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]triphenylen-2-yl]-3-phenylcarbazole
CID 148701272

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 163779111) is 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc2)cc1.Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)c(-c3ccccc3)c3ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MNBLHYZHZPXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.2C48H33N3/c1-4-16-35(17-5-1)49-45-25-11-10-22-41(45)42-33-30-39(53-55-51(37-18-6-2-7-19-37)54-52(56-53)38-20-8-3-9-21-38)34-46(42)50(49)36-28-31-40(32-29-36)57-47-26-14-12-23-43(47)44-24-13-15-27-48(44)57;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-43-31-39(29-30-41(43)40-19-11-12-20-42(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38;1-32-21-23-33(24-22-32)34-25-27-36(28-26-34)45-42-30-29-39(31-43(42)40-19-11-12-20-41(40)44(45)35-13-5-2-6-14-35)48-50-46(37-15-7-3-8-16-37)49-47(51-48)38-17-9-4-10-18-38/h1-34H;2*2-31H,1H3.
What are the key properties of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine?
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2030.51 g/mol, XLogP of 38.59, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenanthren-9-yl]phenyl]carbazole;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-[4-(4-methylphenyl)phenyl]-9-phenylphenanthren-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163779111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).