4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C66H42N8 — CID 143802427

IUPAC4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(n2)c2ncccc2n3-c2cccc(-n3c4cccnc4c4nc(-c5cccc(-n6c7ccccc7c7cc(C=C)ccc76)c5)ccc43)c2)c1
InChIInChI=1S/C66H42N8/c1-3-41-26-30-57-51(36-41)49-20-5-7-22-55(49)71(57)45-16-9-14-43(38-45)53-28-32-61-65(69-53)63-59(24-12-34-67-63)73(61)47-18-11-19-48(40-47)74-60-25-13-35-68-64(60)66-62(74)33-29-54(70-66)44-15-10-17-46(39-44)72-56-23-8-6-21-50(56)52-37-42(4-2)27-31-58(52)72/h3-40H,1-2H2
InChIKeyCIWSTHWIBXOYIU-UHFFFAOYSA-N
MW947.12 g/mol
LogP16.27
Rot. Bonds8

About 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 143802427) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID143802427
Molecular FormulaC66H42N8
Molecular Weight947.12 g/mol
Exact Mass946.35
IUPAC Name4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(n2)c2ncccc2n3-c2cccc(-n3c4cccnc4c4nc(-c5cccc(-n6c7ccccc7c7cc(C=C)ccc76)c5)ccc43)c2)c1
InChIInChI=1S/C66H42N8/c1-3-41-26-30-57-51(36-41)49-20-5-7-22-55(49)71(57)45-16-9-14-43(38-45)53-28-32-61-65(69-53)63-59(24-12-34-67-63)73(61)47-18-11-19-48(40-47)74-60-25-13-35-68-64(60)66-62(74)33-29-54(70-66)44-15-10-17-46(39-44)72-56-23-8-6-21-50(56)52-37-42(4-2)27-31-58(52)72/h3-40H,1-2H2
InChIKeyCIWSTHWIBXOYIU-UHFFFAOYSA-N
XLogP16.27
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.12
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

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9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
9-[[1-[[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155551077
3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
CID 162659787
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
Fnifpetvaysmhi-uhfffaoysa-
CID 10739636
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-[(4-Fluorophenyl)methyl]-3-[[4-[[9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029328
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
Delta-[ru(Bpy)2dppz]2+
CID 57336495
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 143802427) is 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C=Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3c(n2)c2ncccc2n3-c2cccc(-n3c4cccnc4c4nc(-c5cccc(-n6c7ccccc7c7cc(C=C)ccc76)c5)ccc43)c2)c1.
What is the InChIKey of 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is CIWSTHWIBXOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8/c1-3-41-26-30-57-51(36-41)49-20-5-7-22-55(49)71(57)45-16-9-14-43(38-45)53-28-32-61-65(69-53)63-59(24-12-34-67-63)73(61)47-18-11-19-48(40-47)74-60-25-13-35-68-64(60)66-62(74)33-29-54(70-66)44-15-10-17-46(39-44)72-56-23-8-6-21-50(56)52-37-42(4-2)27-31-58(52)72/h3-40H,1-2H2.
What are the key properties of 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 947.12 g/mol, XLogP of 16.27, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethenylcarbazol-9-yl)phenyl]-8-[3-[4-[3-(3-ethenylcarbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 143802427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).