28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene

C42H26N2O — CID 177285260

IUPAC28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(c13)-c1ccccc1-2
InChIInChI=1S/C42H26N2O/c1-6-19-36-28(12-1)29-13-2-7-20-37(29)43(36)27-24-25-39-35(26-27)34-18-11-17-33-32-16-5-10-23-41(32)45-40-22-9-4-15-31(40)30-14-3-8-21-38(30)44(39)42(33)34/h1-26H
InChIKeyXZUYXBXCLQOORP-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.32
Rot. Bonds1

About 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene

28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene (PubChem CID 177285260) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene.

Molecular Properties

Compound Name28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
PubChem CID177285260
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
SMILESc1ccc2c(c1)Oc1ccccc1-c1cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(c13)-c1ccccc1-2
InChIInChI=1S/C42H26N2O/c1-6-19-36-28(12-1)29-13-2-7-20-37(29)43(36)27-24-25-39-35(26-27)34-18-11-17-33-32-16-5-10-23-41(32)45-40-22-9-4-15-31(40)30-14-3-8-21-38(30)44(39)42(33)34/h1-26H
InChIKeyXZUYXBXCLQOORP-UHFFFAOYSA-N
XLogP11.32
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene with MolForge

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Related Compounds

3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-[2-(2-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-[3-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;3-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 165034407
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795331
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
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
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494
21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
CID 165066017
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170224676
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
10-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795507

Frequently Asked Questions

What is the IUPAC name of 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene?
The IUPAC name of 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene (CID 177285260) is 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene.
What is the SMILES notation for 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene?
The canonical SMILES for 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene is c1ccc2c(c1)Oc1ccccc1-c1cccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(c13)-c1ccccc1-2.
What is the InChIKey of 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene?
The InChIKey is XZUYXBXCLQOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-6-19-36-28(12-1)29-13-2-7-20-37(29)43(36)27-24-25-39-35(26-27)34-18-11-17-33-32-16-5-10-23-41(32)45-40-22-9-4-15-31(40)30-14-3-8-21-38(30)44(39)42(33)34/h1-26H.
What are the key properties of 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene?
28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene has a molecular weight of 574.68 g/mol, XLogP of 11.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene is sourced from PubChem (CID 177285260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).