25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene

C47H30BN5 — CID 168811318

IUPAC25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene
SMILESC1=CB2N(C=C1)c1ccccc1-c1ccccc1-c1nc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc3n12
InChIInChI=1S/C47H30BN5/c1-2-19-37-32(14-1)33-15-3-7-20-39(33)50-29-12-11-28-48(50)53-45-25-13-24-44(46(45)49-47(37)53)52-42-23-10-6-18-36(42)38-30-31(26-27-43(38)52)51-40-21-8-4-16-34(40)35-17-5-9-22-41(35)51/h1-30H
InChIKeySHFMNVGOYPWHRD-UHFFFAOYSA-N
MW675.60 g/mol
LogP11.34
Rot. Bonds2

About 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene

25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene (PubChem CID 168811318) has the molecular formula C47H30BN5 and a molecular weight of 675.60 g/mol. Its IUPAC name is 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene.

Molecular Properties

Compound Name25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene
PubChem CID168811318
Molecular FormulaC47H30BN5
Molecular Weight675.60 g/mol
Exact Mass675.26
IUPAC Name25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene
SMILESC1=CB2N(C=C1)c1ccccc1-c1ccccc1-c1nc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc3n12
InChIInChI=1S/C47H30BN5/c1-2-19-37-32(14-1)33-15-3-7-20-39(33)50-29-12-11-28-48(50)53-45-25-13-24-44(46(45)49-47(37)53)52-42-23-10-6-18-36(42)38-30-31(26-27-43(38)52)51-40-21-8-4-16-34(40)35-17-5-9-22-41(35)51/h1-30H
InChIKeySHFMNVGOYPWHRD-UHFFFAOYSA-N
XLogP11.34
TPSA30.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.60
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene with MolForge

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Related Compounds

4-(3-carbazol-9-ylcarbazol-9-yl)-1-aza-20-borapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-2(7),3,5,8,10,12,14,16,18,21,23-undecaene
CID 168811406
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170224676
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684
11-naphthalen-1-yl-5-(8-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 167157220
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
[4-[24-(3-carbazol-9-ylcarbazol-9-yl)-20,22,29-triazaheptacyclo[18.10.0.02,7.08,13.014,19.021,29.023,28]triaconta-1(30),2,4,6,8,10,12,14,16,18,21,23(28),24,26-tetradecaen-30-yl]phenyl]-triphenylsilane
CID 168811316
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350

Frequently Asked Questions

What is the IUPAC name of 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene?
The IUPAC name of 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene (CID 168811318) is 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene.
What is the SMILES notation for 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene?
The canonical SMILES for 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene is C1=CB2N(C=C1)c1ccccc1-c1ccccc1-c1nc3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc3n12.
What is the InChIKey of 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene?
The InChIKey is SHFMNVGOYPWHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30BN5/c1-2-19-37-32(14-1)33-15-3-7-20-39(33)50-29-12-11-28-48(50)53-45-25-13-24-44(46(45)49-47(37)53)52-42-23-10-6-18-36(42)38-30-31(26-27-43(38)52)51-40-21-8-4-16-34(40)35-17-5-9-22-41(35)51/h1-30H.
What are the key properties of 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene?
25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene has a molecular weight of 675.60 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(3-carbazol-9-ylcarbazol-9-yl)-14,20,27-triaza-19-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(27),2,4,6,8,10,12,15,17,21(26),22,24-dodecaene is sourced from PubChem (CID 168811318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).