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

C46H35N3 — CID 134428228

IUPAC16-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
SMILESCC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C46H35N3/c1-46(2)24-26-48(30-13-4-3-5-14-30)44-29-39-34-23-22-31(49-42-20-10-8-17-35(42)36-18-9-11-21-43(36)49)27-38(34)33-16-7-6-15-32(33)37-19-12-25-47-45(37)40(39)28-41(44)46/h3-23,25,27-29H,24,26H2,1-2H3/b37-32-,38-33-,39-34-,45-40+
InChIKeyRISGWERGHSVSDR-VEPRJFQESA-N
MW629.81 g/mol
LogP11.98
Rot. Bonds2

About 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

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 (PubChem CID 134428228) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-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
PubChem CID134428228
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name16-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
SMILESCC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C46H35N3/c1-46(2)24-26-48(30-13-4-3-5-14-30)44-29-39-34-23-22-31(49-42-20-10-8-17-35(42)36-18-9-11-21-43(36)49)27-38(34)33-16-7-6-15-32(33)37-19-12-25-47-45(37)40(39)28-41(44)46/h3-23,25,27-29H,24,26H2,1-2H3/b37-32-,38-33-,39-34-,45-40+
InChIKeyRISGWERGHSVSDR-VEPRJFQESA-N
XLogP11.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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)-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-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),9,11,14,16,18,20,22(27)-dodecaene;12-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),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;29,29-di(carbazol-9-yl)-12,12-dimethyl-9-phenyl-9-azaheptacyclo[24.2.1.05,28.06,15.08,13.016,21.022,27]nonacosa-1,3,5(28),6,8(13),14,16,18,20,22(27),23,25-dodecaene
CID 157475875
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-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ncccc1-c1ccccc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.
What is the InChIKey of 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?
The InChIKey is RISGWERGHSVSDR-VEPRJFQESA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2)24-26-48(30-13-4-3-5-14-30)44-29-39-34-23-22-31(49-42-20-10-8-17-35(42)36-18-9-11-21-43(36)49)27-38(34)33-16-7-6-15-32(33)37-19-12-25-47-45(37)40(39)28-41(44)46/h3-23,25,27-29H,24,26H2,1-2H3/b37-32-,38-33-,39-34-,45-40+.
What are the key properties of 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?
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 has a molecular weight of 629.81 g/mol, XLogP of 11.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134428228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).