14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide

C37H22BN4OP — CID 140821493

IUPAC14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide
SMILESO=P12B3N(c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4nc5ccccc5n43)c3cccc(c31)-c1ccccc12
InChIInChI=1S/C37H22BN4OP/c43-44-35-19-8-3-12-26(35)27-13-9-18-34(36(27)44)41-32-21-20-23(40-30-15-5-1-10-24(30)25-11-2-6-16-31(25)40)22-28(32)37-39-29-14-4-7-17-33(29)42(37)38(41)44/h1-22H
InChIKeyKYZUCJNBHXNKRS-UHFFFAOYSA-N
MW580.40 g/mol
LogP8.09
Rot. Bonds1

About 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide

14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide (PubChem CID 140821493) has the molecular formula C37H22BN4OP and a molecular weight of 580.40 g/mol. Its IUPAC name is 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide.

Molecular Properties

Compound Name14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide
PubChem CID140821493
Molecular FormulaC37H22BN4OP
Molecular Weight580.40 g/mol
Exact Mass580.16
IUPAC Name14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide
SMILESO=P12B3N(c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4nc5ccccc5n43)c3cccc(c31)-c1ccccc12
InChIInChI=1S/C37H22BN4OP/c43-44-35-19-8-3-12-26(35)27-13-9-18-34(36(27)44)41-32-21-20-23(40-30-15-5-1-10-24(30)25-11-2-6-16-31(25)40)22-28(32)37-39-29-14-4-7-17-33(29)42(37)38(41)44/h1-22H
InChIKeyKYZUCJNBHXNKRS-UHFFFAOYSA-N
XLogP8.09
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.40
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide with MolForge

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Related Compounds

6-carbazol-9-yl-24-oxa-2,9,17-triaza-1-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-3(8),4,6,9,11,13,15,18,20,22-decaene
CID 140821546
5,6-diphenyl-2-(9-phenylcarbazol-2-yl)benzimidazolo[1,2-c][1,3,2]benzodiazaborinine
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6-carbazol-9-yl-2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaene
CID 153430620
5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
CID 89472173
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
CID 140680733
9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 148971314
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
9-[4-carbazol-9-yl-2-(4-methylphenyl)phenyl]carbazole
CID 59742176
9-[2-[1-(4-ethenylphenyl)benzimidazol-2-yl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide?
The IUPAC name of 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide (CID 140821493) is 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide.
What is the SMILES notation for 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide?
The canonical SMILES for 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide is O=P12B3N(c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4nc5ccccc5n43)c3cccc(c31)-c1ccccc12.
What is the InChIKey of 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide?
The InChIKey is KYZUCJNBHXNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22BN4OP/c43-44-35-19-8-3-12-26(35)27-13-9-18-34(36(27)44)41-32-21-20-23(40-30-15-5-1-10-24(30)25-11-2-6-16-31(25)40)22-28(32)37-39-29-14-4-7-17-33(29)42(37)38(41)44/h1-22H.
What are the key properties of 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide?
14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide has a molecular weight of 580.40 g/mol, XLogP of 8.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-carbazol-9-yl-3,10,18-triaza-1λ5-phospha-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-4,6,8,10,12(17),13,15,19,21,23(30),24,26,28-tridecaene 1-oxide is sourced from PubChem (CID 140821493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).