7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

C54H35N3O — CID 170651906

IUPAC7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(N4c5cccc(c5)-c5cccc(c5)N(c5ccc6c(c5)oc5ccccc56)c5cccc(c5)-c5cccc4c5)ccc32)cc1
InChIInChI=1S/C54H35N3O/c1-2-16-40(17-3-1)57-51-24-6-4-22-47(51)50-34-45(27-29-52(50)57)55-41-18-8-12-36(30-41)38-14-10-20-43(32-38)56(44-21-11-15-39(33-44)37-13-9-19-42(55)31-37)46-26-28-49-48-23-5-7-25-53(48)58-54(49)35-46/h1-35H
InChIKeyQCFYEWILQALHHE-UHFFFAOYSA-N
MW741.89 g/mol
LogP15.27
Rot. Bonds3

About 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (PubChem CID 170651906) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

Molecular Properties

Compound Name7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
PubChem CID170651906
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(N4c5cccc(c5)-c5cccc(c5)N(c5ccc6c(c5)oc5ccccc56)c5cccc(c5)-c5cccc4c5)ccc32)cc1
InChIInChI=1S/C54H35N3O/c1-2-16-40(17-3-1)57-51-24-6-4-22-47(51)50-34-45(27-29-52(50)57)55-41-18-8-12-36(30-41)38-14-10-20-43(32-38)56(44-21-11-15-39(33-44)37-13-9-19-42(55)31-37)46-26-28-49-48-23-5-7-25-53(48)58-54(49)35-46/h1-35H
InChIKeyQCFYEWILQALHHE-UHFFFAOYSA-N
XLogP15.27
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene with MolForge

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Related Compounds

3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
7-dibenzofuran-3-yl-18-(9-phenylcarbazol-4-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651884
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The IUPAC name of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (CID 170651906) is 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.
What is the SMILES notation for 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The canonical SMILES for 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is c1ccc(-n2c3ccccc3c3cc(N4c5cccc(c5)-c5cccc(c5)N(c5ccc6c(c5)oc5ccccc56)c5cccc(c5)-c5cccc4c5)ccc32)cc1.
What is the InChIKey of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The InChIKey is QCFYEWILQALHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-16-40(17-3-1)57-51-24-6-4-22-47(51)50-34-45(27-29-52(50)57)55-41-18-8-12-36(30-41)38-14-10-20-43(32-38)56(44-21-11-15-39(33-44)37-13-9-19-42(55)31-37)46-26-28-49-48-23-5-7-25-53(48)58-54(49)35-46/h1-35H.
What are the key properties of 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene has a molecular weight of 741.89 g/mol, XLogP of 15.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is sourced from PubChem (CID 170651906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).