26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene

C44H29N5 — CID 145027911

IUPAC26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7cccc8c7n(c6cc54)C4Nc5ccccc5NC84)cc32)cc1
InChIInChI=1S/C44H29N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)30-22-21-27(23-39(30)47)48-38-20-9-5-14-29(38)33-24-34-31-15-10-16-32-42-44(46-36-18-7-6-17-35(36)45-42)49(43(31)32)41(34)25-40(33)48/h1-25,42,44-46H
InChIKeyHQRDTTPLRAJSAD-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.08
Rot. Bonds2

About 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene

26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene (PubChem CID 145027911) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene.

Molecular Properties

Compound Name26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene
PubChem CID145027911
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7cccc8c7n(c6cc54)C4Nc5ccccc5NC84)cc32)cc1
InChIInChI=1S/C44H29N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)30-22-21-27(23-39(30)47)48-38-20-9-5-14-29(38)33-24-34-31-15-10-16-32-42-44(46-36-18-7-6-17-35(36)45-42)49(43(31)32)41(34)25-40(33)48/h1-25,42,44-46H
InChIKeyHQRDTTPLRAJSAD-UHFFFAOYSA-N
XLogP11.08
TPSA38.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene with MolForge

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Related Compounds

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CID 163412050
2-carbazol-9-yl-9-phenylcarbazole
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2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
6,25-diphenyl-2,6,21,25-tetrazaundecacyclo[19.17.1.12,16.03,15.05,13.07,12.022,34.024,32.026,31.035,39.020,40]tetraconta-1(38),3(15),4,7,9,11,13,16(40),17,19,22(34),23,26,28,30,32,35(39),36-octadecaene
CID 162500970
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
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2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417

Frequently Asked Questions

What is the IUPAC name of 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene?
The IUPAC name of 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene (CID 145027911) is 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene.
What is the SMILES notation for 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene?
The canonical SMILES for 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c7cccc8c7n(c6cc54)C4Nc5ccccc5NC84)cc32)cc1.
What is the InChIKey of 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene?
The InChIKey is HQRDTTPLRAJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-2-11-26(12-3-1)47-37-19-8-4-13-28(37)30-22-21-27(23-39(30)47)48-38-20-9-5-14-29(38)33-24-34-31-15-10-16-32-42-44(46-36-18-7-6-17-35(36)45-42)49(43(31)32)41(34)25-40(33)48/h1-25,42,44-46H.
What are the key properties of 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene?
26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene has a molecular weight of 627.75 g/mol, XLogP of 11.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(9-phenylcarbazol-2-yl)-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-4,6,8,12,14,16(30),17(29),18,20,22,24,27-dodecaene is sourced from PubChem (CID 145027911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).