4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile

C150H88N6O6 — CID 146497476

About 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile

4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile (PubChem CID 146497476) has the molecular formula C150H88N6O6 and a molecular weight of 2070.39 g/mol. Its IUPAC name is 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile.

Molecular Properties

• Compound Name: 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile
• PubChem CID: 146497476
• Molecular Formula: C150H88N6O6
• Molecular Weight: 2070.39 g/mol
• Exact Mass: 2068.68
• IUPAC Name: 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile
• SMILES: N#Cc1ccc(N(c2cc3oc4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5c(-c7ccccc7)ccc(-c7cccc(-c8ccc(N(c9cc%10oc%11cc(N(c%12ccc(-c%13ccccc%13)cc%12)c%12cccc%13c%12oc%12c(-c%14ccccc%14)cccc%12%13)c%12ccccc%12c%11c%10c%10ccccc9%10)c9cccc%10c9oc9c(-c%11ccccc%11)cccc9%10)cc8)c7)c56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
• InChI: InChI=1S/C150H88N6O6/c151-89-91-66-74-102(75-67-91)153(126-62-28-58-122-119-55-25-52-107(143(119)159-146(122)126)96-34-8-2-9-35-96)130-85-134-139(115-48-20-16-44-111(115)130)140-116-49-21-17-45-112(116)131(86-135(140)157-134)154(103-76-68-92(90-152)69-77-103)129-65-31-61-125-138-106(82-83-110(150(138)162-149(125)129)99-40-14-5-15-41-99)101-43-24-42-100(84-101)95-72-80-105(81-73-95)156(128-64-30-60-124-121-57-27-54-109(145(121)161-148(124)128)98-38-12-4-13-39-98)133-88-137-142(118-51-23-19-47-114(118)133)141-117-50-22-18-46-113(117)132(87-136(141)158-137)155(104-78-70-94(71-79-104)93-32-6-1-7-33-93)127-63-29-59-123-120-56-26-53-108(144(120)160-147(123)127)97-36-10-3-11-37-97/h1-88H
• InChIKey: YSXXKOCCHAWNRV-UHFFFAOYSA-N
• XLogP: 42.99
• TPSA: 139.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.39
LogP ≤ 5	42.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile?

The IUPAC name of 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile (CID 146497476) is 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile.

What is the SMILES notation for 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile?

The canonical SMILES for 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile is N#Cc1ccc(N(c2cc3oc4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5c(-c7ccccc7)ccc(-c7cccc(-c8ccc(N(c9cc%10oc%11cc(N(c%12ccc(-c%13ccccc%13)cc%12)c%12cccc%13c%12oc%12c(-c%14ccccc%14)cccc%12%13)c%12ccccc%12c%11c%10c%10ccccc9%10)c9cccc%10c9oc9c(-c%11ccccc%11)cccc9%10)cc8)c7)c56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.

What is the InChIKey of 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile?

The InChIKey is YSXXKOCCHAWNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H88N6O6/c151-89-91-66-74-102(75-67-91)153(126-62-28-58-122-119-55-25-52-107(143(119)159-146(122)126)96-34-8-2-9-35-96)130-85-134-139(115-48-20-16-44-111(115)130)140-116-49-21-17-45-112(116)131(86-135(140)157-134)154(103-76-68-92(90-152)69-77-103)129-65-31-61-125-138-106(82-83-110(150(138)162-149(125)129)99-40-14-5-15-41-99)101-43-24-42-100(84-101)95-72-80-105(81-73-95)156(128-64-30-60-124-121-57-27-54-109(145(121)161-148(124)128)98-38-12-4-13-39-98)133-88-137-142(118-51-23-19-47-114(118)133)141-117-50-22-18-46-113(117)132(87-136(141)158-137)155(104-78-70-94(71-79-104)93-32-6-1-7-33-93)127-63-29-59-123-120-56-26-53-108(144(120)160-147(123)127)97-36-10-3-11-37-97/h1-88H.

What are the key properties of 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile?

4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile has a molecular weight of 2070.39 g/mol, XLogP of 42.99, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[15-(4-cyano-N-[6-phenyl-9-[3-[4-[(6-phenyldibenzofuran-4-yl)-[15-(4-phenyl-N-(6-phenyldibenzofuran-4-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]amino]phenyl]phenyl]dibenzofuran-4-yl]anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile is sourced from PubChem (CID 146497476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).