9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C28H18N2 — CID 139336780

IUPAC9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)[nH]c2ccc3ccccc3c24)cc1
InChIInChI=1S/C28H18N2/c1-2-9-19(10-3-1)30-24-13-7-6-12-21(24)27-25(30)17-16-23-28(27)26-20-11-5-4-8-18(20)14-15-22(26)29-23/h1-17,29H
InChIKeyQCLSZVUZLZVLDL-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.57
Rot. Bonds1

About 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 139336780) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
PubChem CID139336780
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)[nH]c2ccc3ccccc3c24)cc1
InChIInChI=1S/C28H18N2/c1-2-9-19(10-3-1)30-24-13-7-6-12-21(24)27-25(30)17-16-23-28(27)26-20-11-5-4-8-18(20)14-15-22(26)29-23/h1-17,29H
InChIKeyQCLSZVUZLZVLDL-UHFFFAOYSA-N
XLogP7.57
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

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CID 118509099
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
CID 150701377
11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
CID 155114077
6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140955524
12-(9H-carbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535722
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
9-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169059406
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 139336780) is 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)[nH]c2ccc3ccccc3c24)cc1.
What is the InChIKey of 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is QCLSZVUZLZVLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-9-19(10-3-1)30-24-13-7-6-12-21(24)27-25(30)17-16-23-28(27)26-20-11-5-4-8-18(20)14-15-22(26)29-23/h1-17,29H.
What are the key properties of 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 382.47 g/mol, XLogP of 7.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 139336780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).