22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene

C48H28BN3O — CID 168759740

IUPAC22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c2ccccc2n4B2c3ccccc3-n3c4ccc5c6ccccc6oc5c4c4cccc2c43)cc1
InChIInChI=1S/C48H28BN3O/c1-2-13-29(14-3-1)50-38-21-8-5-17-34(38)44-41(50)27-25-32-30-15-4-9-22-39(30)52(47(32)44)49-36-19-7-10-23-40(36)51-42-28-26-33-31-16-6-11-24-43(31)53-48(33)45(42)35-18-12-20-37(49)46(35)51/h1-28H
InChIKeyHDFFCRBDCQWNLS-UHFFFAOYSA-N
MW673.58 g/mol
LogP10.86
Rot. Bonds2

About 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene

22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene (PubChem CID 168759740) has the molecular formula C48H28BN3O and a molecular weight of 673.58 g/mol. Its IUPAC name is 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene.

Molecular Properties

Compound Name22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene
PubChem CID168759740
Molecular FormulaC48H28BN3O
Molecular Weight673.58 g/mol
Exact Mass673.23
IUPAC Name22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c2ccccc2n4B2c3ccccc3-n3c4ccc5c6ccccc6oc5c4c4cccc2c43)cc1
InChIInChI=1S/C48H28BN3O/c1-2-13-29(14-3-1)50-38-21-8-5-17-34(38)44-41(50)27-25-32-30-15-4-9-22-39(30)52(47(32)44)49-36-19-7-10-23-40(36)51-42-28-26-33-31-16-6-11-24-43(31)53-48(33)45(42)35-18-12-20-37(49)46(35)51/h1-28H
InChIKeyHDFFCRBDCQWNLS-UHFFFAOYSA-N
XLogP10.86
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.58
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene with MolForge

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Related Compounds

4-isocyano-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaene
CID 168759515
5,10-diphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168759713
22-(2,7-ditert-butylcarbazol-9-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene
CID 168759343
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
12-dibenzofuran-1-yl-5-phenylindolo[3,2-c]carbazole
CID 167029676
5-N,5-N,10-N,10-N-tetraphenyl-13-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 168759776
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-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-nonaene
CID 138568922
5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 129299096
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
15-phenanthren-9-yl-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679019
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485

Frequently Asked Questions

What is the IUPAC name of 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene?
The IUPAC name of 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene (CID 168759740) is 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene.
What is the SMILES notation for 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene?
The canonical SMILES for 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)c2ccccc2n4B2c3ccccc3-n3c4ccc5c6ccccc6oc5c4c4cccc2c43)cc1.
What is the InChIKey of 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene?
The InChIKey is HDFFCRBDCQWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28BN3O/c1-2-13-29(14-3-1)50-38-21-8-5-17-34(38)44-41(50)27-25-32-30-15-4-9-22-39(30)52(47(32)44)49-36-19-7-10-23-40(36)51-42-28-26-33-31-16-6-11-24-43(31)53-48(33)45(42)35-18-12-20-37(49)46(35)51/h1-28H.
What are the key properties of 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene?
22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene has a molecular weight of 673.58 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(5-phenylindolo[3,2-c]carbazol-12-yl)-4-oxa-15-aza-22-boraheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(26),2(14),3(11),5,7,9,12,16,18,20,23(27),24-dodecaene is sourced from PubChem (CID 168759740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).