18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C68H40N4O — CID 138475167

IUPAC18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2nc(-n3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)cc7c56)ccc4c4c5ccccc5c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C68H40N4O/c1-3-17-42(18-4-1)66-53-26-13-14-28-57(53)69-68(70-66)72-60-40-45(30-34-54(60)65-51-24-11-9-22-49(51)50-23-10-12-25-52(50)67(65)72)48-27-15-29-62-64(48)56-39-44(33-37-61(56)73-62)43-32-35-58-55(38-43)63-47-21-8-7-16-41(47)31-36-59(63)71(58)46-19-5-2-6-20-46/h1-40H
InChIKeyFORKPSMCSSSQDQ-UHFFFAOYSA-N
MW929.10 g/mol
LogP18.18
Rot. Bonds5

About 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 138475167) has the molecular formula C68H40N4O and a molecular weight of 929.10 g/mol. Its IUPAC name is 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID138475167
Molecular FormulaC68H40N4O
Molecular Weight929.10 g/mol
Exact Mass928.32
IUPAC Name18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2nc(-n3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)cc7c56)ccc4c4c5ccccc5c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C68H40N4O/c1-3-17-42(18-4-1)66-53-26-13-14-28-57(53)69-68(70-66)72-60-40-45(30-34-54(60)65-51-24-11-9-22-49(51)50-23-10-12-25-52(50)67(65)72)48-27-15-29-62-64(48)56-39-44(33-37-61(56)73-62)43-32-35-58-55(38-43)63-47-21-8-7-16-41(47)31-36-59(63)71(58)46-19-5-2-6-20-46/h1-40H
InChIKeyFORKPSMCSSSQDQ-UHFFFAOYSA-N
XLogP18.18
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
18-(9-methyldibenzofuran-2-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 139421573
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
10-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
CID 134594856
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
15-(3-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679387
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710

Frequently Asked Questions

What is the IUPAC name of 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 138475167) is 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2nc(-n3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)cc7c56)ccc4c4c5ccccc5c5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is FORKPSMCSSSQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N4O/c1-3-17-42(18-4-1)66-53-26-13-14-28-57(53)69-68(70-66)72-60-40-45(30-34-54(60)65-51-24-11-9-22-49(51)50-23-10-12-25-52(50)67(65)72)48-27-15-29-62-64(48)56-39-44(33-37-61(56)73-62)43-32-35-58-55(38-43)63-47-21-8-7-16-41(47)31-36-59(63)71(58)46-19-5-2-6-20-46/h1-40H.
What are the key properties of 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 929.10 g/mol, XLogP of 18.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 138475167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).