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

C39H24N2 — CID 137294852

IUPAC11-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
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1cc3ncccc3cc1-2
InChIInChI=1S/C39H24N2/c1-2-12-28-27(11-1)31-20-19-26(41-38-17-7-5-15-32(38)33-16-6-8-18-39(33)41)23-35(31)29-13-3-4-14-30(29)36-24-37-25(22-34(28)36)10-9-21-40-37/h1-24H/b31-27-,34-28-,35-29-,36-30-
InChIKeyHISWHIKCBLINGW-XWMPIGGFSA-N
MW520.64 g/mol
LogP10.31
Rot. Bonds1

About 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

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 (PubChem CID 137294852) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID137294852
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name11-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
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1cc3ncccc3cc1-2
InChIInChI=1S/C39H24N2/c1-2-12-28-27(11-1)31-20-19-26(41-38-17-7-5-15-32(38)33-16-6-8-18-39(33)41)23-35(31)29-13-3-4-14-30(29)36-24-37-25(22-34(28)36)10-9-21-40-37/h1-24H/b31-27-,34-28-,35-29-,36-30-
InChIKeyHISWHIKCBLINGW-XWMPIGGFSA-N
XLogP10.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
6-carbazol-9-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;9-carbazol-9-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;10-carbazol-9-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;11-carbazol-9-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 159039559
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
17-carbazol-9-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 134428780
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-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene
CID 161327076
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
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
CID 146356615

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1cc3ncccc3cc1-2.
What is the InChIKey of 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?
The InChIKey is HISWHIKCBLINGW-XWMPIGGFSA-N. The full InChI is InChI=1S/C39H24N2/c1-2-12-28-27(11-1)31-20-19-26(41-38-17-7-5-15-32(38)33-16-6-8-18-39(33)41)23-35(31)29-13-3-4-14-30(29)36-24-37-25(22-34(28)36)10-9-21-40-37/h1-24H/b31-27-,34-28-,35-29-,36-30-.
What are the key properties of 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?
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 has a molecular weight of 520.64 g/mol, XLogP of 10.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137294852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).