3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene

C57H35N3 — CID 140932114

IUPAC3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3ccc4c3-c3ccccc3-c3ccccc3-c3ncccc3-4)cc1-2
InChIInChI=1S/C57H35N3/c1-3-18-42-38(14-1)39-15-2-4-19-43(39)53-35-37(60-54-25-11-9-20-46(54)47-21-10-12-26-55(47)60)28-30-45(53)44-29-27-36(34-52(42)44)59-33-31-51-49-24-13-32-58-56(49)48-22-7-5-16-40(48)41-17-6-8-23-50(41)57(51)59/h1-35H/b39-38-,41-40-,45-44-,51-49-,52-42-,53-43-,56-48+,57-50+
InChIKeyKCFLZBQHAIJWNB-IGPACEPYSA-N
MW761.93 g/mol
LogP14.93
Rot. Bonds2

About 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene

3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene (PubChem CID 140932114) has the molecular formula C57H35N3 and a molecular weight of 761.93 g/mol. Its IUPAC name is 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene
PubChem CID140932114
Molecular FormulaC57H35N3
Molecular Weight761.93 g/mol
Exact Mass761.28
IUPAC Name3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3ccc4c3-c3ccccc3-c3ccccc3-c3ncccc3-4)cc1-2
InChIInChI=1S/C57H35N3/c1-3-18-42-38(14-1)39-15-2-4-19-43(39)53-35-37(60-54-25-11-9-20-46(54)47-21-10-12-26-55(47)60)28-30-45(53)44-29-27-36(34-52(42)44)59-33-31-51-49-24-13-32-58-56(49)48-22-7-5-16-40(48)41-17-6-8-23-50(41)57(51)59/h1-35H/b39-38-,41-40-,45-44-,51-49-,52-42-,53-43-,56-48+,57-50+
InChIKeyKCFLZBQHAIJWNB-IGPACEPYSA-N
XLogP14.93
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene with MolForge

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Related Compounds

10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
CID 140920345
10-carbazol-9-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 134428704
11,16-di(carbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428203
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
11,16-di(carbazol-9-yl)-30-oxa-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,24,26,28,31-pentadecaen-23-one
CID 134428472
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
11,16-di(carbazol-9-yl)-26,26-dimethyl-23-phenyl-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428222
16-carbazol-9-yl-26,26-dimethyl-23-phenyl-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene
CID 134428228
16-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14(19),15,17,20,22-dodecaene
CID 146631472

Frequently Asked Questions

What is the IUPAC name of 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene?
The IUPAC name of 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene (CID 140932114) is 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene.
What is the SMILES notation for 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene?
The canonical SMILES for 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene is c1ccc2c(c1)-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccc(-n3ccc4c3-c3ccccc3-c3ccccc3-c3ncccc3-4)cc1-2.
What is the InChIKey of 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene?
The InChIKey is KCFLZBQHAIJWNB-IGPACEPYSA-N. The full InChI is InChI=1S/C57H35N3/c1-3-18-42-38(14-1)39-15-2-4-19-43(39)53-35-37(60-54-25-11-9-20-46(54)47-21-10-12-26-55(47)60)28-30-45(53)44-29-27-36(34-52(42)44)59-33-31-51-49-24-13-32-58-56(49)48-22-7-5-16-40(48)41-17-6-8-23-50(41)57(51)59/h1-35H/b39-38-,41-40-,45-44-,51-49-,52-42-,53-43-,56-48+,57-50+.
What are the key properties of 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene?
3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene has a molecular weight of 761.93 g/mol, XLogP of 14.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-carbazol-9-yltetraphenylen-2-yl)-3,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7(12),8,10,13,15,17,19,21-undecaene is sourced from PubChem (CID 140932114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).