5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C50H29N5O — CID 129128204

IUPAC5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5n4)ccc32)cc1
InChIInChI=1S/C50H29N5O/c1-2-12-32(13-3-1)53-40-19-9-6-14-33(40)37-28-30(22-24-42(37)53)31-23-25-43-38(29-31)34-15-7-10-20-41(34)54(43)46-27-26-45-47(52-46)48-49(56-45)35-16-4-5-17-36(35)50-51-39-18-8-11-21-44(39)55(48)50/h1-29H
InChIKeyFACLNDHVBKSADI-UHFFFAOYSA-N
MW715.82 g/mol
LogP12.80
Rot. Bonds3

About 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 129128204) has the molecular formula C50H29N5O and a molecular weight of 715.82 g/mol. Its IUPAC name is 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
PubChem CID129128204
Molecular FormulaC50H29N5O
Molecular Weight715.82 g/mol
Exact Mass715.24
IUPAC Name5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5n4)ccc32)cc1
InChIInChI=1S/C50H29N5O/c1-2-12-32(13-3-1)53-40-19-9-6-14-33(40)37-28-30(22-24-42(37)53)31-23-25-43-38(29-31)34-15-7-10-20-41(34)54(43)46-27-26-45-47(52-46)48-49(56-45)35-16-4-5-17-36(35)50-51-39-18-8-11-21-44(39)55(48)50/h1-29H
InChIKeyFACLNDHVBKSADI-UHFFFAOYSA-N
XLogP12.80
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.82
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene
CID 140939552
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939656
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128241
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128031
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128279
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128173

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 129128204) is 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6c7ccccc7c7nc8ccccc8n7c6c5n4)ccc32)cc1.
What is the InChIKey of 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The InChIKey is FACLNDHVBKSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5O/c1-2-12-32(13-3-1)53-40-19-9-6-14-33(40)37-28-30(22-24-42(37)53)31-23-25-43-38(29-31)34-15-7-10-20-41(34)54(43)46-27-26-45-47(52-46)48-49(56-45)35-16-4-5-17-36(35)50-51-39-18-8-11-21-44(39)55(48)50/h1-29H.
What are the key properties of 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 715.82 g/mol, XLogP of 12.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 129128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).