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

C64H39N3 — CID 140920345

IUPAC11-[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
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)nc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c1
InChIInChI=1S/C64H39N3/c1-4-19-47-43(15-1)44-16-2-6-21-49(44)59-39-42(67-62-28-11-9-22-53(62)54-23-10-12-29-63(54)67)32-35-51(59)50-33-30-40(37-57(47)50)60-26-13-27-61(66-60)41-31-34-52-56-25-14-36-65-64(56)55-24-8-7-18-46(55)45-17-3-5-20-48(45)58(52)38-41/h1-39H/b44-43-,46-45-,51-50-,56-52-,57-47-,58-48-,59-49-,64-55+
InChIKeyFEIMLZLTXAKUGJ-NLGBJVOTSA-N
MW850.04 g/mol
LogP16.87
Rot. Bonds3

About 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

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 (PubChem CID 140920345) has the molecular formula C64H39N3 and a molecular weight of 850.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID140920345
Molecular FormulaC64H39N3
Molecular Weight850.04 g/mol
Exact Mass849.31
IUPAC Name11-[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
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)nc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c1
InChIInChI=1S/C64H39N3/c1-4-19-47-43(15-1)44-16-2-6-21-49(44)59-39-42(67-62-28-11-9-22-53(62)54-23-10-12-29-63(54)67)32-35-51(59)50-33-30-40(37-57(47)50)60-26-13-27-61(66-60)41-31-34-52-56-25-14-36-65-64(56)55-24-8-7-18-46(55)45-17-3-5-20-48(45)58(52)38-41/h1-39H/b44-43-,46-45-,51-50-,56-52-,57-47-,58-48-,59-49-,64-55+
InChIKeyFEIMLZLTXAKUGJ-NLGBJVOTSA-N
XLogP16.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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
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
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
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)-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
11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(1-deuteriocyclopentyl)pyrimidin-2-yl]-10-(1-deuteriocyclopentyl)-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
CID 140920463
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
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
11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-3,5-bis(trideuteriomethyl)pyrazin-2-yl]-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;11-[6-(7-carbazol-9-yltetraphenylen-2-yl)-3,5-bis(trideuteriomethyl)-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;11-[4-(7-carbazol-9-yltetraphenylen-2-yl)-5-(trideuteriomethyl)pyrimidin-2-yl]-10-(trideuteriomethyl)-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 158870150
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)nc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)c1.
What is the InChIKey of 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?
The InChIKey is FEIMLZLTXAKUGJ-NLGBJVOTSA-N. The full InChI is InChI=1S/C64H39N3/c1-4-19-47-43(15-1)44-16-2-6-21-49(44)59-39-42(67-62-28-11-9-22-53(62)54-23-10-12-29-63(54)67)32-35-51(59)50-33-30-40(37-57(47)50)60-26-13-27-61(66-60)41-31-34-52-56-25-14-36-65-64(56)55-24-8-7-18-46(55)45-17-3-5-20-48(45)58(52)38-41/h1-39H/b44-43-,46-45-,51-50-,56-52-,57-47-,58-48-,59-49-,64-55+.
What are the key properties of 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?
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 has a molecular weight of 850.04 g/mol, XLogP of 16.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140920345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).