9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

C53H35N5 — CID 138743723

IUPAC9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C53H35N5/c1-2-17-40(18-3-1)57-47-23-10-8-20-42(47)45-32-37(27-29-49(45)57)38-28-30-50-46(33-38)43-21-9-11-24-48(43)58(50)53-55-51(39-26-25-34-13-4-5-15-36(34)31-39)54-52(56-53)44-22-12-16-35-14-6-7-19-41(35)44/h1-33,42,47H
InChIKeyJBOPLPKUEJRVOV-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.01
Rot. Bonds5

About 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (PubChem CID 138743723) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
PubChem CID138743723
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C53H35N5/c1-2-17-40(18-3-1)57-47-23-10-8-20-42(47)45-32-37(27-29-49(45)57)38-28-30-50-46(33-38)43-21-9-11-24-48(43)58(50)53-55-51(39-26-25-34-13-4-5-15-36(34)31-39)54-52(56-53)44-22-12-16-35-14-6-7-19-41(35)44/h1-33,42,47H
InChIKeyJBOPLPKUEJRVOV-UHFFFAOYSA-N
XLogP13.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenyl-4a,12b-dihydroindolo[2,3-b]carbazole
CID 156571392
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
CID 159841599
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]carbazole;3-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 160712276

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (CID 138743723) is 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6ccccc56)n4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The InChIKey is JBOPLPKUEJRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-2-17-40(18-3-1)57-47-23-10-8-20-42(47)45-32-37(27-29-49(45)57)38-28-30-50-46(33-38)43-21-9-11-24-48(43)58(50)53-55-51(39-26-25-34-13-4-5-15-36(34)31-39)54-52(56-53)44-22-12-16-35-14-6-7-19-41(35)44/h1-33,42,47H.
What are the key properties of 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole has a molecular weight of 741.90 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 138743723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).