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),24-tridecaene

C47H34N2 — CID 134428282

IUPAC12-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),24-tridecaene
SMILESCC1(C)C=CN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3
InChIInChI=1S/C47H34N2/c1-47(2)27-28-48(31-15-4-3-5-16-31)45-30-40-34-19-8-9-22-37(34)46-38(32-17-6-7-18-33(32)39(40)29-41(45)47)23-14-26-44(46)49-42-24-12-10-20-35(42)36-21-11-13-25-43(36)49/h3-30H,1-2H3/b38-32-,39-33-,40-34-,46-37+
InChIKeyJUNVPCZQHHIDKV-PDMGUMGWSA-N
MW626.80 g/mol
LogP12.71
Rot. Bonds2

About 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),24-tridecaene

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),24-tridecaene (PubChem CID 134428282) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 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),24-tridecaene.

Molecular Properties

Compound Name12-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),24-tridecaene
PubChem CID134428282
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name12-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),24-tridecaene
SMILESCC1(C)C=CN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3
InChIInChI=1S/C47H34N2/c1-47(2)27-28-48(31-15-4-3-5-16-31)45-30-40-34-19-8-9-22-37(34)46-38(32-17-6-7-18-33(32)39(40)29-41(45)47)23-14-26-44(46)49-42-24-12-10-20-35(42)36-21-11-13-25-43(36)49/h3-30H,1-2H3/b38-32-,39-33-,40-34-,46-37+
InChIKeyJUNVPCZQHHIDKV-PDMGUMGWSA-N
XLogP12.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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),24-tridecaene with MolForge

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Related Compounds

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
9-(4-carbazol-9-yl-9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole
CID 162230175
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
33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene
CID 134428389
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-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550
3-[9-(6,6-dimethylbenzo[c]chromen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 169281830
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
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
1-carbazol-9-ylfluoren-9-imine
CID 54505041
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
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

Frequently Asked Questions

What is the IUPAC name of 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),24-tridecaene?
The IUPAC name of 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),24-tridecaene (CID 134428282) is 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),24-tridecaene.
What is the SMILES notation for 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),24-tridecaene?
The canonical SMILES for 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),24-tridecaene is CC1(C)C=CN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1-c1ccccc1-3.
What is the InChIKey of 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),24-tridecaene?
The InChIKey is JUNVPCZQHHIDKV-PDMGUMGWSA-N. The full InChI is InChI=1S/C47H34N2/c1-47(2)27-28-48(31-15-4-3-5-16-31)45-30-40-34-19-8-9-22-37(34)46-38(32-17-6-7-18-33(32)39(40)29-41(45)47)23-14-26-44(46)49-42-24-12-10-20-35(42)36-21-11-13-25-43(36)49/h3-30H,1-2H3/b38-32-,39-33-,40-34-,46-37+.
What are the key properties of 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),24-tridecaene?
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),24-tridecaene has a molecular weight of 626.80 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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),24-tridecaene is sourced from PubChem (CID 134428282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).