7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C110H63N7O — CID 130330976

About 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130330976) has the molecular formula C110H63N7O and a molecular weight of 1498.76 g/mol. Its IUPAC name is 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

• Compound Name: 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• PubChem CID: 130330976
• Molecular Formula: C110H63N7O
• Molecular Weight: 1498.76 g/mol
• Exact Mass: 1497.51
• IUPAC Name: 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• SMILES: c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6nc7c8c(cccc8n6)-c6ccccc6-7)c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7cc8c9c(nc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14oc%15ccc%16ccccc%16c%15c%14c%13)ccc%12%11)c%10)nc9c7)-c7ccccc7-8)ccc5n6-c5ccccc5)ccc43)c2)cc1
• InChI: InChI=1S/C110H63N7O/c1-3-19-64(20-4-1)67-23-16-28-78(54-67)117-100-48-39-68(66-22-15-24-74(53-66)109-111-94-37-18-36-84-81-31-9-11-34-85(81)107(113-109)105(84)94)57-89(100)90-59-71(42-49-101(90)117)70-41-47-98-88(58-70)91-60-73(43-50-99(91)115(98)77-26-5-2-6-27-77)76-62-92-82-32-10-12-35-86(82)108-106(92)95(63-76)112-110(114-108)75-25-17-29-79(55-75)116-96-38-14-13-33-83(96)87-56-69(40-46-97(87)116)72-45-51-102-93(61-72)104-80-30-8-7-21-65(80)44-52-103(104)118-102/h1-63H
• InChIKey: VGIGFRRDHQEMQL-UHFFFAOYSA-N
• XLogP: 28.88
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1498.76
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The IUPAC name of 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130330976) is 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

What is the SMILES notation for 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The canonical SMILES for 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6nc7c8c(cccc8n6)-c6ccccc6-7)c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7cc8c9c(nc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-c%13ccc%14oc%15ccc%16ccccc%16c%15c%14c%13)ccc%12%11)c%10)nc9c7)-c7ccccc7-8)ccc5n6-c5ccccc5)ccc43)c2)cc1.

What is the InChIKey of 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The InChIKey is VGIGFRRDHQEMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H63N7O/c1-3-19-64(20-4-1)67-23-16-28-78(54-67)117-100-48-39-68(66-22-15-24-74(53-66)109-111-94-37-18-36-84-81-31-9-11-34-85(81)107(113-109)105(84)94)57-89(100)90-59-71(42-49-101(90)117)70-41-47-98-88(58-70)91-60-73(43-50-99(91)115(98)77-26-5-2-6-27-77)76-62-92-82-32-10-12-35-86(82)108-106(92)95(63-76)112-110(114-108)75-25-17-29-79(55-75)116-96-38-14-13-33-83(96)87-56-69(40-46-97(87)116)72-45-51-102-93(61-72)104-80-30-8-7-21-65(80)44-52-103(104)118-102/h1-63H.

What are the key properties of 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 1498.76 g/mol, XLogP of 28.88, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).