15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene

C62H37N3O2 — CID 129289172

IUPAC15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(c4)Oc4cc7ccccc7cc4N6c4cc6ccccc6cc4O5)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H37N3O2/c1-3-13-38(14-4-1)43-23-26-54-50(29-43)51-31-45(25-28-55(51)63(54)46-19-5-2-6-20-46)44-24-27-53-49(30-44)48-21-11-12-22-52(48)64(53)47-36-60-62-61(37-47)67-59-35-42-18-10-8-16-40(42)33-57(59)65(62)56-32-39-15-7-9-17-41(39)34-58(56)66-60/h1-37H
InChIKeyHNVFZVLZJABQCR-UHFFFAOYSA-N
MW856.00 g/mol
LogP17.20
Rot. Bonds4

About 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene

15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene (PubChem CID 129289172) has the molecular formula C62H37N3O2 and a molecular weight of 856.00 g/mol. Its IUPAC name is 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
PubChem CID129289172
Molecular FormulaC62H37N3O2
Molecular Weight856.00 g/mol
Exact Mass855.29
IUPAC Name15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(c4)Oc4cc7ccccc7cc4N6c4cc6ccccc6cc4O5)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H37N3O2/c1-3-13-38(14-4-1)43-23-26-54-50(29-43)51-31-45(25-28-55(51)63(54)46-19-5-2-6-20-46)44-24-27-53-49(30-44)48-21-11-12-22-52(48)64(53)47-36-60-62-61(37-47)67-59-35-42-18-10-8-16-40(42)33-57(59)65(62)56-32-39-15-7-9-17-41(39)34-58(56)66-60/h1-37H
InChIKeyHNVFZVLZJABQCR-UHFFFAOYSA-N
XLogP17.20
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene with MolForge

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Related Compounds

11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289224
11-bromo-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;11-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 161144927
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724

Frequently Asked Questions

What is the IUPAC name of 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The IUPAC name of 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene (CID 129289172) is 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene.
What is the SMILES notation for 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The canonical SMILES for 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(c4)Oc4cc7ccccc7cc4N6c4cc6ccccc6cc4O5)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
The InChIKey is HNVFZVLZJABQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N3O2/c1-3-13-38(14-4-1)43-23-26-54-50(29-43)51-31-45(25-28-55(51)63(54)46-19-5-2-6-20-46)44-24-27-53-49(30-44)48-21-11-12-22-52(48)64(53)47-36-60-62-61(37-47)67-59-35-42-18-10-8-16-40(42)33-57(59)65(62)56-32-39-15-7-9-17-41(39)34-58(56)66-60/h1-37H.
What are the key properties of 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene?
15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene has a molecular weight of 856.00 g/mol, XLogP of 17.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene is sourced from PubChem (CID 129289172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).