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

C50H40N4 — CID 152974605

IUPAC8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1CC=Cc2c1n(-c1ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)cc3)cc1)c1ccccc21
InChIInChI=1S/C50H40N4/c1-33-8-6-10-43-42-9-4-5-12-46(42)53(48(33)43)40-25-17-36(18-26-40)34-13-21-38(22-14-34)50(2,3)39-23-15-35(16-24-39)37-19-27-41(28-20-37)54-47-29-31-51-32-45(47)44-11-7-30-52-49(44)54/h4-7,9-33H,8H2,1-3H3
InChIKeyUTDVBCNNQURUJG-UHFFFAOYSA-N
MW696.90 g/mol
LogP12.70
Rot. Bonds6

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

8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 152974605) has the molecular formula C50H40N4 and a molecular weight of 696.90 g/mol. Its IUPAC name is 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID152974605
Molecular FormulaC50H40N4
Molecular Weight696.90 g/mol
Exact Mass696.33
IUPAC Name8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1CC=Cc2c1n(-c1ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)cc3)cc1)c1ccccc21
InChIInChI=1S/C50H40N4/c1-33-8-6-10-43-42-9-4-5-12-46(42)53(48(33)43)40-25-17-36(18-26-40)34-13-21-38(22-14-34)50(2,3)39-23-15-35(16-24-39)37-19-27-41(28-20-37)54-47-29-31-51-32-45(47)44-11-7-30-52-49(44)54/h4-7,9-33H,8H2,1-3H3
InChIKeyUTDVBCNNQURUJG-UHFFFAOYSA-N
XLogP12.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
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
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
11-(1-methyl-1,2-dihydrocarbazol-9-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 123369795
12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole
CID 158424691
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
9-phenylpyrido[2,3-b]indole
CID 15939260
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole
CID 121339815
7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole
CID 159693761
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 121422859

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 152974605) is 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-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-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1CC=Cc2c1n(-c1ccc(-c3ccc(C(C)(C)c4ccc(-c5ccc(-n6c7ccncc7c7cccnc76)cc5)cc4)cc3)cc1)c1ccccc21.
What is the InChIKey of 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is UTDVBCNNQURUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4/c1-33-8-6-10-43-42-9-4-5-12-46(42)53(48(33)43)40-25-17-36(18-26-40)34-13-21-38(22-14-34)50(2,3)39-23-15-35(16-24-39)37-19-27-41(28-20-37)54-47-29-31-51-32-45(47)44-11-7-30-52-49(44)54/h4-7,9-33H,8H2,1-3H3.
What are the key properties of 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 696.90 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-[2-[4-[4-(1-methyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]propan-2-yl]phenyl]phenyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 152974605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).