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

C41H30N4 — CID 143295809

IUPAC8-[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
SMILESC1=Cc2c(n(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccncc7c7cnccc76)cc5)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C41H30N4/c1-3-7-38-34(5-1)35-6-2-4-8-39(35)44(38)32-17-11-29(12-18-32)25-28-9-13-30(14-10-28)31-15-19-33(20-16-31)45-40-21-23-42-26-36(40)37-27-43-24-22-41(37)45/h1-3,5-7,9-24,26-27H,4,8,25H2
InChIKeyOMBRZYPHMXYKNS-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.73
Rot. Bonds5

About 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

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 (PubChem CID 143295809) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID143295809
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name8-[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
SMILESC1=Cc2c(n(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccncc7c7cnccc76)cc5)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C41H30N4/c1-3-7-38-34(5-1)35-6-2-4-8-39(35)44(38)32-17-11-29(12-18-32)25-28-9-13-30(14-10-28)31-15-19-33(20-16-31)45-40-21-23-42-26-36(40)37-27-43-24-22-41(37)45/h1-3,5-7,9-24,26-27H,4,8,25H2
InChIKeyOMBRZYPHMXYKNS-UHFFFAOYSA-N
XLogP9.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-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
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
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
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
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(n(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccncc7c7cnccc76)cc5)cc4)cc3)c3ccccc23)CC1.
What is the InChIKey of 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?
The InChIKey is OMBRZYPHMXYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-3-7-38-34(5-1)35-6-2-4-8-39(35)44(38)32-17-11-29(12-18-32)25-28-9-13-30(14-10-28)31-15-19-33(20-16-31)45-40-21-23-42-26-36(40)37-27-43-24-22-41(37)45/h1-3,5-7,9-24,26-27H,4,8,25H2.
What are the key properties of 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?
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 has a molecular weight of 578.72 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143295809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).