12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C54H32N4O — CID 167044066

IUPAC12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3cc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C54H32N4O/c1-2-15-34(16-3-1)44-32-45(56-54(55-44)58-46-23-11-8-20-39(46)40-21-9-12-24-47(40)58)37-30-49(52-42-22-10-13-25-50(42)59-51(52)31-37)57-48-29-36-18-5-4-17-35(36)28-43(48)41-27-26-33-14-6-7-19-38(33)53(41)57/h1-32H
InChIKeyJBLQWRZLJXBUEJ-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.21
Rot. Bonds4

About 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 167044066) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
PubChem CID167044066
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc(-c2cc(-c3cc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C54H32N4O/c1-2-15-34(16-3-1)44-32-45(56-54(55-44)58-46-23-11-8-20-39(46)40-21-9-12-24-47(40)58)37-30-49(52-42-22-10-13-25-50(42)59-51(52)31-37)57-48-29-36-18-5-4-17-35(36)28-43(48)41-27-26-33-14-6-7-19-38(33)53(41)57/h1-32H
InChIKeyJBLQWRZLJXBUEJ-UHFFFAOYSA-N
XLogP14.21
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
5-[3-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348049
19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
CID 146375718
23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 121432065
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
5-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole;bis(9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole);11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[a]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165000310
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
12-[3-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699540

Frequently Asked Questions

What is the IUPAC name of 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The IUPAC name of 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 167044066) is 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.
What is the SMILES notation for 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The canonical SMILES for 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc(-c2cc(-c3cc(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The InChIKey is JBLQWRZLJXBUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-2-15-34(16-3-1)44-32-45(56-54(55-44)58-46-23-11-8-20-39(46)40-21-9-12-24-47(40)58)37-30-49(52-42-22-10-13-25-50(42)59-51(52)31-37)57-48-29-36-18-5-4-17-35(36)28-43(48)41-27-26-33-14-6-7-19-38(33)53(41)57/h1-32H.
What are the key properties of 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 167044066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).