3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole

C51H40N4 — CID 170061394

IUPAC3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(C3NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C51H40N4/c1-4-15-35(16-5-1)37-19-12-22-41(31-37)49-52-50(42-23-13-20-38(32-42)36-17-6-2-7-18-36)54-51(53-49)43-24-14-21-39(33-43)40-29-30-48-46(34-40)45-27-10-11-28-47(45)55(48)44-25-8-3-9-26-44/h1-34,49-54H
InChIKeyQWJPQIIHNWZBBB-UHFFFAOYSA-N
MW708.91 g/mol
LogP11.96
Rot. Bonds7

About 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole

3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 170061394) has the molecular formula C51H40N4 and a molecular weight of 708.91 g/mol. Its IUPAC name is 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
PubChem CID170061394
Molecular FormulaC51H40N4
Molecular Weight708.91 g/mol
Exact Mass708.33
IUPAC Name3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(C3NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C51H40N4/c1-4-15-35(16-5-1)37-19-12-22-41(31-37)49-52-50(42-23-13-20-38(32-42)36-17-6-2-7-18-36)54-51(53-49)43-24-14-21-39(33-43)40-29-30-48-46(34-40)45-27-10-11-28-47(45)55(48)44-25-8-3-9-26-44/h1-34,49-54H
InChIKeyQWJPQIIHNWZBBB-UHFFFAOYSA-N
XLogP11.96
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 511.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole (CID 170061394) is 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cccc(C3NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)N3)c2)cc1.
What is the InChIKey of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is QWJPQIIHNWZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N4/c1-4-15-35(16-5-1)37-19-12-22-41(31-37)49-52-50(42-23-13-20-38(32-42)36-17-6-2-7-18-36)54-51(53-49)43-24-14-21-39(33-43)40-29-30-48-46(34-40)45-27-10-11-28-47(45)55(48)44-25-8-3-9-26-44/h1-34,49-54H.
What are the key properties of 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole?
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 708.91 g/mol, XLogP of 11.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 170061394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).