17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

C50H31N5 — CID 144568656

IUPAC17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6cccnc6c6ccc7ccncc7c65)c4)ccc32)cc1
InChIInChI=1S/C50H31N5/c1-2-10-35(11-3-1)53-44-16-6-4-14-38(44)41-28-33(20-23-46(41)53)34-21-24-47-42(29-34)39-15-5-7-17-45(39)54(47)36-12-8-13-37(30-36)55-48-18-9-26-52-49(48)40-22-19-32-25-27-51-31-43(32)50(40)55/h1-31H
InChIKeyPYMDJIPKIURGPC-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.59
Rot. Bonds4

About 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (PubChem CID 144568656) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
PubChem CID144568656
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6cccnc6c6ccc7ccncc7c65)c4)ccc32)cc1
InChIInChI=1S/C50H31N5/c1-2-10-35(11-3-1)53-44-16-6-4-14-38(44)41-28-33(20-23-46(41)53)34-21-24-47-42(29-34)39-15-5-7-17-45(39)54(47)36-12-8-13-37(30-36)55-48-18-9-26-52-49(48)40-22-19-32-25-27-51-31-43(32)50(40)55/h1-31H
InChIKeyPYMDJIPKIURGPC-UHFFFAOYSA-N
XLogP12.59
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene with MolForge

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Related Compounds

11-phenylpyrido[3,4-a]carbazole
CID 118403040
20-[3-(3-carbazol-9-ylphenyl)phenyl]-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 139574904
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 161153615
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
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
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
CID 118069035
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585

Frequently Asked Questions

What is the IUPAC name of 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The IUPAC name of 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (CID 144568656) is 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.
What is the SMILES notation for 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The canonical SMILES for 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6cccnc6c6ccc7ccncc7c65)c4)ccc32)cc1.
What is the InChIKey of 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The InChIKey is PYMDJIPKIURGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-2-10-35(11-3-1)53-44-16-6-4-14-38(44)41-28-33(20-23-46(41)53)34-21-24-47-42(29-34)39-15-5-7-17-45(39)54(47)36-12-8-13-37(30-36)55-48-18-9-26-52-49(48)40-22-19-32-25-27-51-31-43(32)50(40)55/h1-31H.
What are the key properties of 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene has a molecular weight of 701.83 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is sourced from PubChem (CID 144568656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).