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

C61H41N5 — CID 134428203

IUPAC11,16-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
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1
InChIInChI=1S/C61H41N5/c1-3-16-40(17-4-1)63-34-35-64(41-18-5-2-6-19-41)60-39-54-53(38-59(60)63)45-32-30-43(66-57-27-13-9-22-48(57)49-23-10-14-28-58(49)66)37-52(45)51-36-42(29-31-44(51)50-24-15-33-62-61(50)54)65-55-25-11-7-20-46(55)47-21-8-12-26-56(47)65/h1-33,36-39H,34-35H2/b50-44-,52-51-,53-45-,61-54+
InChIKeyNLQJLSLWKFZMKN-ADYVXMMFSA-N
MW844.03 g/mol
LogP15.55
Rot. Bonds4

About 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

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 (PubChem CID 134428203) has the molecular formula C61H41N5 and a molecular weight of 844.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,16-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
PubChem CID134428203
Molecular FormulaC61H41N5
Molecular Weight844.03 g/mol
Exact Mass843.34
IUPAC Name11,16-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
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1
InChIInChI=1S/C61H41N5/c1-3-16-40(17-4-1)63-34-35-64(41-18-5-2-6-19-41)60-39-54-53(38-59(60)63)45-32-30-43(66-57-27-13-9-22-48(57)49-23-10-14-28-58(49)66)37-52(45)51-36-42(29-31-44(51)50-24-15-33-62-61(50)54)65-55-25-11-7-20-46(55)47-21-8-12-26-56(47)65/h1-33,36-39H,34-35H2/b50-44-,52-51-,53-45-,61-54+
InChIKeyNLQJLSLWKFZMKN-ADYVXMMFSA-N
XLogP15.55
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
12,15-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 134428197
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
5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428162
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
6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428145
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
11,16-di(carbazol-9-yl)-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428174
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
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
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1.
What is the InChIKey of 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?
The InChIKey is NLQJLSLWKFZMKN-ADYVXMMFSA-N. The full InChI is InChI=1S/C61H41N5/c1-3-16-40(17-4-1)63-34-35-64(41-18-5-2-6-19-41)60-39-54-53(38-59(60)63)45-32-30-43(66-57-27-13-9-22-48(57)49-23-10-14-28-58(49)66)37-52(45)51-36-42(29-31-44(51)50-24-15-33-62-61(50)54)65-55-25-11-7-20-46(55)47-21-8-12-26-56(47)65/h1-33,36-39H,34-35H2/b50-44-,52-51-,53-45-,61-54+.
What are the key properties of 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?
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 has a molecular weight of 844.03 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134428203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).