7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine

C66H43N3O — CID 118963240

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine (PubChem CID 118963240) has the molecular formula C66H43N3O and a molecular weight of 894.09 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine.

Molecular Properties

• Compound Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
• PubChem CID: 118963240
• Molecular Formula: C66H43N3O
• Molecular Weight: 894.09 g/mol
• Exact Mass: 893.34
• IUPAC Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
• SMILES: C1=CC2c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3OC2C=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C66H43N3O/c1-3-12-42(13-4-1)43-22-29-49(30-23-43)67(50-31-24-44(25-32-50)45-27-36-62-58(38-45)53-17-8-9-20-60(53)68(62)48-14-5-2-6-15-48)51-33-35-55-54-34-26-47(40-64(54)70-65(55)41-51)46-28-37-63-59(39-46)57-19-11-18-56-52-16-7-10-21-61(52)69(63)66(56)57/h1-41,55,65H
• InChIKey: MULFOGGQUGQBBB-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 21.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.09
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine?

The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine (CID 118963240) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine.

What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine?

The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine is C1=CC2c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3OC2C=C1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine?

The InChIKey is MULFOGGQUGQBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O/c1-3-12-42(13-4-1)43-22-29-49(30-23-43)67(50-31-24-44(25-32-50)45-27-36-62-58(38-45)53-17-8-9-20-60(53)68(62)48-14-5-2-6-15-48)51-33-35-55-54-34-26-47(40-64(54)70-65(55)41-51)46-28-37-63-59(39-46)57-19-11-18-56-52-16-7-10-21-61(52)69(63)66(56)57/h1-41,55,65H.

What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine?

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine has a molecular weight of 894.09 g/mol, XLogP of 17.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 118963240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).