8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C35H24N4 — CID 59344139

IUPAC8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1
InChIInChI=1S/C35H24N4/c1-3-7-32-28(5-1)29-6-2-4-8-33(29)38(32)26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)39-34-17-19-36-22-30(34)31-23-37-20-18-35(31)39/h1-20,22-23H,21H2
InChIKeyDZNNVJJXBNBJFV-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.26
Rot. Bonds4

About 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 59344139) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID59344139
Molecular FormulaC35H24N4
Molecular Weight500.61 g/mol
Exact Mass500.20
IUPAC Name8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1
InChIInChI=1S/C35H24N4/c1-3-7-32-28(5-1)29-6-2-4-8-33(29)38(32)26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)39-34-17-19-36-22-30(34)31-23-37-20-18-35(31)39/h1-20,22-23H,21H2
InChIKeyDZNNVJJXBNBJFV-UHFFFAOYSA-N
XLogP8.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
5-[4-(dibenzothiophen-2-ylmethyl)phenyl]pyrido[4,3-b]indole
CID 158656541
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
8-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-[4-[[4-(4-carbazol-9-ylphenyl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[4,3-b]indole;5-[4-[4-[[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole;8-[4-[[4-[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4-[4-[[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[6-[[4-[[5-(6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]methyl]phenyl]methyl]-3-pyridinyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158352036
8-[4-[4-[[4-(1,2-dihydrocarbazol-9-yl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143295809
(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
CID 163966873
5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158927878
8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 146522510

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 59344139) is 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)c1ccccc1n2-c1ccc(Cc2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1.
What is the InChIKey of 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DZNNVJJXBNBJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4/c1-3-7-32-28(5-1)29-6-2-4-8-33(29)38(32)26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)39-34-17-19-36-22-30(34)31-23-37-20-18-35(31)39/h1-20,22-23H,21H2.
What are the key properties of 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 500.61 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 59344139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).