25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene

C35H20BN3O2 — CID 140821534

IUPAC25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene
SMILESc1ccc2c(c1)B1Oc3cc4c(cc3N1c1ccc(-n3c5ccccc5c5ccccc53)nc1-2)oc1ccccc14
InChIInChI=1S/C35H20BN3O2/c1-5-13-26-24(12-1)35-29(17-18-34(37-35)38-27-14-6-2-9-21(27)22-10-3-7-15-28(22)38)39-30-20-32-25(19-33(30)41-36(26)39)23-11-4-8-16-31(23)40-32/h1-20H
InChIKeyMIRQRBOZKXMOKM-UHFFFAOYSA-N
MW525.38 g/mol
LogP7.98
Rot. Bonds1

About 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene

25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene (PubChem CID 140821534) has the molecular formula C35H20BN3O2 and a molecular weight of 525.38 g/mol. Its IUPAC name is 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene.

Molecular Properties

Compound Name25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene
PubChem CID140821534
Molecular FormulaC35H20BN3O2
Molecular Weight525.38 g/mol
Exact Mass525.16
IUPAC Name25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene
SMILESc1ccc2c(c1)B1Oc3cc4c(cc3N1c1ccc(-n3c5ccccc5c5ccccc53)nc1-2)oc1ccccc14
InChIInChI=1S/C35H20BN3O2/c1-5-13-26-24(12-1)35-29(17-18-34(37-35)38-27-14-6-2-9-21(27)22-10-3-7-15-28(22)38)39-30-20-32-25(19-33(30)41-36(26)39)23-11-4-8-16-31(23)40-32/h1-20H
InChIKeyMIRQRBOZKXMOKM-UHFFFAOYSA-N
XLogP7.98
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.38
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene with MolForge

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Related Compounds

9-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6(11),7,9,12,17,19,21,23(28),24,26-dodecaene;25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene;5-carbazol-9-yl-21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15,17,19-nonaene;10-carbazol-9-yl-21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2(7),3,5,8(13),9,11,15,17,19-nonaene;21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2(7),3,5,8,10,12,15,17,19-nonaene
CID 162044453
7-[3,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)pyridazin-4-yl]-10-[7-[2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-3-pyridinyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
CID 126652530
9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
CID 171578653
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene
CID 153263417
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-[4-(3-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 118530326
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
CID 167322537
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
9-[6-(6-dibenzofuran-4-yldibenzofuran-4-yl)-2-pyridinyl]carbazole
CID 146266799

Frequently Asked Questions

What is the IUPAC name of 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene?
The IUPAC name of 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene (CID 140821534) is 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene.
What is the SMILES notation for 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene?
The canonical SMILES for 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene is c1ccc2c(c1)B1Oc3cc4c(cc3N1c1ccc(-n3c5ccccc5c5ccccc53)nc1-2)oc1ccccc14.
What is the InChIKey of 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene?
The InChIKey is MIRQRBOZKXMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20BN3O2/c1-5-13-26-24(12-1)35-29(17-18-34(37-35)38-27-14-6-2-9-21(27)22-10-3-7-15-28(22)38)39-30-20-32-25(19-33(30)41-36(26)39)23-11-4-8-16-31(23)40-32/h1-20H.
What are the key properties of 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene?
25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene has a molecular weight of 525.38 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene is sourced from PubChem (CID 140821534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).