15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene

C60H35B2N3 — CID 174333673

IUPAC15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c(B4c5cccc6c5-n5c7c4ccc4c8ccccc8c8ccc(c5c8c47)B6c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C60H35B2N3/c1-3-16-36(17-4-1)63-50-28-11-9-22-42(50)54-44(24-14-30-52(54)63)61-46-26-13-27-47-58(46)65-59-48(61)34-32-40-38-20-7-8-21-39(38)41-33-35-49(60(65)57(41)56(40)59)62(47)45-25-15-31-53-55(45)43-23-10-12-29-51(43)64(53)37-18-5-2-6-19-37/h1-35H
InChIKeyUFGJPXRPBFDQNH-UHFFFAOYSA-N
MW819.59 g/mol
LogP10.38
Rot. Bonds4

About 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene

15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene (PubChem CID 174333673) has the molecular formula C60H35B2N3 and a molecular weight of 819.59 g/mol. Its IUPAC name is 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene.

Molecular Properties

Compound Name15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene
PubChem CID174333673
Molecular FormulaC60H35B2N3
Molecular Weight819.59 g/mol
Exact Mass819.30
IUPAC Name15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c(B4c5cccc6c5-n5c7c4ccc4c8ccccc8c8ccc(c5c8c47)B6c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1
InChIInChI=1S/C60H35B2N3/c1-3-16-36(17-4-1)63-50-28-11-9-22-42(50)54-44(24-14-30-52(54)63)61-46-26-13-27-47-58(46)65-59-48(61)34-32-40-38-20-7-8-21-39(38)41-33-35-49(60(65)57(41)56(40)59)62(47)45-25-15-31-53-55(45)43-23-10-12-29-51(43)64(53)37-18-5-2-6-19-37/h1-35H
InChIKeyUFGJPXRPBFDQNH-UHFFFAOYSA-N
XLogP10.38
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.59
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15,27-bis(2,4,6-triphenylphenyl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene
CID 171620854
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
CID 174333556
CID 174333556
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
2,16,30-triaza-9,37-diboradodecacyclo[23.13.1.02,18.03,8.04,37.09,17.010,15.016,20.019,24.029,39.030,38.031,36]nonatriaconta-1(38),3,5,7,10,12,14,17,19(24),20,22,25(39),26,28,31,33,35-heptadecaene
CID 168728445
8-chloro-5,12-diphenylindolo[3,2-c]carbazole
CID 147599556
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310

Frequently Asked Questions

What is the IUPAC name of 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene?
The IUPAC name of 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene (CID 174333673) is 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene.
What is the SMILES notation for 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene?
The canonical SMILES for 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene is c1ccc(-n2c3ccccc3c3c(B4c5cccc6c5-n5c7c4ccc4c8ccccc8c8ccc(c5c8c47)B6c4cccc5c4c4ccccc4n5-c4ccccc4)cccc32)cc1.
What is the InChIKey of 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene?
The InChIKey is UFGJPXRPBFDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35B2N3/c1-3-16-36(17-4-1)63-50-28-11-9-22-42(50)54-44(24-14-30-52(54)63)61-46-26-13-27-47-58(46)65-59-48(61)34-32-40-38-20-7-8-21-39(38)41-33-35-49(60(65)57(41)56(40)59)62(47)45-25-15-31-53-55(45)43-23-10-12-29-51(43)64(53)37-18-5-2-6-19-37/h1-35H.
What are the key properties of 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene?
15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene has a molecular weight of 819.59 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,27-bis(9-phenylcarbazol-4-yl)-22-aza-15,27-diboraoctacyclo[18.6.1.04,25.05,10.011,24.014,23.016,21.022,26]heptacosa-1(26),2,4(25),5,7,9,11(24),12,14(23),16,18,20-dodecaene is sourced from PubChem (CID 174333673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).