5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole

C66H39BN4O2 — CID 168757527

IUPAC5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)Oc4cccc6c4B5c4ccc(-n5c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c75)cc4O6)c23)cc1
InChIInChI=1S/C66H39BN4O2/c1-3-16-40(17-4-1)68-54-26-13-9-22-48(54)62-56(68)36-32-46-44-20-7-11-24-52(44)70(65(46)62)42-30-34-50-60(38-42)72-58-28-15-29-59-64(58)67(50)51-35-31-43(39-61(51)73-59)71-53-25-12-8-21-45(53)47-33-37-57-63(66(47)71)49-23-10-14-27-55(49)69(57)41-18-5-2-6-19-41/h1-39H
InChIKeyDFDSMGQUNKYHOH-UHFFFAOYSA-N
MW930.88 g/mol
LogP14.80
Rot. Bonds4

About 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole

5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole (PubChem CID 168757527) has the molecular formula C66H39BN4O2 and a molecular weight of 930.88 g/mol. Its IUPAC name is 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole
PubChem CID168757527
Molecular FormulaC66H39BN4O2
Molecular Weight930.88 g/mol
Exact Mass930.32
IUPAC Name5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)Oc4cccc6c4B5c4ccc(-n5c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c75)cc4O6)c23)cc1
InChIInChI=1S/C66H39BN4O2/c1-3-16-40(17-4-1)68-54-26-13-9-22-48(54)62-56(68)36-32-46-44-20-7-11-24-52(44)70(65(46)62)42-30-34-50-60(38-42)72-58-28-15-29-59-64(58)67(50)51-35-31-43(39-61(51)73-59)71-53-25-12-8-21-45(53)47-33-37-57-63(66(47)71)49-23-10-14-27-55(49)69(57)41-18-5-2-6-19-41/h1-39H
InChIKeyDFDSMGQUNKYHOH-UHFFFAOYSA-N
XLogP14.80
TPSA38.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.88
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole with MolForge

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Related Compounds

5-(11-carbazol-9-yl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-12-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
CID 153490971
triphenyl-[3-[5-(12-phenylindolo[3,2-c]carbazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-10-yl]phenyl]silane
CID 171581778
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)indolo[3,2-c]carbazole
CID 153490996
5-N,17-N-diphenyl-5-N,17-N-bis(9-phenylcarbazol-1-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,17-diamine
CID 144878796
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145390349
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
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9-(17-carbazol-9-yl-11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole
CID 163701316
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole (CID 168757527) is 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)Oc4cccc6c4B5c4ccc(-n5c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c75)cc4O6)c23)cc1.
What is the InChIKey of 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole?
The InChIKey is DFDSMGQUNKYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39BN4O2/c1-3-16-40(17-4-1)68-54-26-13-9-22-48(54)62-56(68)36-32-46-44-20-7-11-24-52(44)70(65(46)62)42-30-34-50-60(38-42)72-58-28-15-29-59-64(58)67(50)51-35-31-43(39-61(51)73-59)71-53-25-12-8-21-45(53)47-33-37-57-63(66(47)71)49-23-10-14-27-55(49)69(57)41-18-5-2-6-19-41/h1-39H.
What are the key properties of 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole?
5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole has a molecular weight of 930.88 g/mol, XLogP of 14.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[17-(5-phenylindolo[3,2-c]carbazol-12-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 168757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).