2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine

C139H85N15O3 — CID 158338776

About 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine

2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine (PubChem CID 158338776) has the molecular formula C139H85N15O3 and a molecular weight of 2013.31 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine.

Molecular Properties

• Compound Name: 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine
• PubChem CID: 158338776
• Molecular Formula: C139H85N15O3
• Molecular Weight: 2013.31 g/mol
• Exact Mass: 2011.70
• IUPAC Name: 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(-c5nc6ccc(N7c8ccccc8-n8c9ccccc9c9cccc7c98)cc6o5)cc4)c3c2)cc1.c1ccc2c(c1)N(c1ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)oc3c1)c1cccc3c4ccccc4n-2c13.c1ccc2c(c1)N(c1cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)oc3c1)c1cccc3c4ccccc4n-2c13
• InChI: InChI=1S/C55H35N5O.2C42H25N5O/c1-3-14-37(15-4-1)57(38-16-5-2-6-17-38)40-30-32-44-42-18-7-9-21-47(42)58(52(44)34-40)39-28-26-36(27-29-39)55-56-46-33-31-41(35-53(46)61-55)59-49-23-11-12-24-50(49)60-48-22-10-8-19-43(48)45-20-13-25-51(59)54(45)60;1-4-14-34-28(10-1)29-11-2-5-15-35(29)46(34)27-21-23-33(43-25-27)42-44-32-22-20-26(24-40(32)48-42)45-37-17-7-8-18-38(37)47-36-16-6-3-12-30(36)31-13-9-19-39(45)41(31)47;1-4-14-33-29(10-1)30-11-2-5-15-34(30)45(33)27-22-20-26(21-23-27)42-44-41-39(48-42)24-28(25-43-41)46-36-17-7-8-18-37(36)47-35-16-6-3-12-31(35)32-13-9-19-38(46)40(32)47/h1-35H;2*1-25H
• InChIKey: GQXIENRXVPFVIM-UHFFFAOYSA-N
• XLogP: 36.68
• TPSA: 146.41 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.31
LogP ≤ 5	36.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine?

The IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine (CID 158338776) is 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine.

What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine?

The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(-c5nc6ccc(N7c8ccccc8-n8c9ccccc9c9cccc7c98)cc6o5)cc4)c3c2)cc1.c1ccc2c(c1)N(c1ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cn4)oc3c1)c1cccc3c4ccccc4n-2c13.c1ccc2c(c1)N(c1cnc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)oc3c1)c1cccc3c4ccccc4n-2c13.

What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine?

The InChIKey is GQXIENRXVPFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5O.2C42H25N5O/c1-3-14-37(15-4-1)57(38-16-5-2-6-17-38)40-30-32-44-42-18-7-9-21-47(42)58(52(44)34-40)39-28-26-36(27-29-39)55-56-46-33-31-41(35-53(46)61-55)59-49-23-11-12-24-50(49)60-48-22-10-8-19-43(48)45-20-13-25-51(59)54(45)60;1-4-14-34-28(10-1)29-11-2-5-15-35(29)46(34)27-21-23-33(43-25-27)42-44-32-22-20-26(24-40(32)48-42)45-37-17-7-8-18-38(37)47-36-16-6-3-12-30(36)31-13-9-19-39(45)41(31)47;1-4-14-33-29(10-1)30-11-2-5-15-34(30)45(33)27-22-20-26(21-23-27)42-44-41-39(48-42)24-28(25-43-41)46-36-17-7-8-18-37(36)47-35-16-6-3-12-31(35)32-13-9-19-38(46)40(32)47/h1-35H;2*1-25H.

What are the key properties of 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine?

2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine has a molecular weight of 2013.31 g/mol, XLogP of 36.68, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carbazol-9-ylphenyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-[1,3]oxazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazole;9-[4-[6-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-1,3-benzoxazol-2-yl]phenyl]-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 158338776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).