10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine

C174H110N6O7 — CID 155082738

About 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine

10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine (PubChem CID 155082738) has the molecular formula C174H110N6O7 and a molecular weight of 2396.83 g/mol. Its IUPAC name is 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

• Compound Name: 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine
• PubChem CID: 155082738
• Molecular Formula: C174H110N6O7
• Molecular Weight: 2396.83 g/mol
• Exact Mass: 2394.84
• IUPAC Name: 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)c6oc7c(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)cc8ccccc8c7c6c5c4)cc3)c3cc4ccccc4c4c3oc3c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5ccc(-c6ccc(N(c7cccc8c7oc7ccccc78)c7cc8ccccc8c8c7oc7c(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc9ccccc9c78)cc6)cc5c34)cc21
• InChI: InChI=1S/C174H110N6O7/c1-173(2)141-63-31-25-55-127(141)129-87-83-121(101-143(129)173)177(115-47-13-7-14-48-115)150-98-112-74-72-106(104-77-81-118(82-78-104)180(146-66-38-62-136-132-58-28-36-70-156(132)184-166(136)146)152-96-110-42-20-22-52-124(110)160-159-123-51-21-19-41-109(123)95-151(171(159)187-172(152)160)179(116-49-15-8-16-50-116)145-65-37-61-135-131-57-27-35-69-155(131)183-165(135)145)92-138(112)164-162-126-54-24-18-40-108(126)94-148(168(162)186-170(150)164)178(122-84-88-130-128-56-26-32-64-142(128)174(3,4)144(130)102-122)117-79-75-103(76-80-117)105-71-73-111-97-149(176(114-45-11-6-12-46-114)120-86-90-158-140(100-120)134-60-30-34-68-154(134)182-158)169-163(137(111)91-105)161-125-53-23-17-39-107(125)93-147(167(161)185-169)175(113-43-9-5-10-44-113)119-85-89-157-139(99-119)133-59-29-33-67-153(133)181-157/h5-102H,1-4H3
• InChIKey: SSFCGEWFMYNJIH-UHFFFAOYSA-N
• XLogP: 50.67
• TPSA: 111.42 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.83
LogP ≤ 5	50.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine?

The IUPAC name of 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine (CID 155082738) is 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine.

What is the SMILES notation for 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine?

The canonical SMILES for 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)c6oc7c(N(c8ccccc8)c8ccc9oc%10ccccc%10c9c8)cc8ccccc8c7c6c5c4)cc3)c3cc4ccccc4c4c3oc3c(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc5ccc(-c6ccc(N(c7cccc8c7oc7ccccc78)c7cc8ccccc8c8c7oc7c(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc9ccccc9c78)cc6)cc5c34)cc21.

What is the InChIKey of 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine?

The InChIKey is SSFCGEWFMYNJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H110N6O7/c1-173(2)141-63-31-25-55-127(141)129-87-83-121(101-143(129)173)177(115-47-13-7-14-48-115)150-98-112-74-72-106(104-77-81-118(82-78-104)180(146-66-38-62-136-132-58-28-36-70-156(132)184-166(136)146)152-96-110-42-20-22-52-124(110)160-159-123-51-21-19-41-109(123)95-151(171(159)187-172(152)160)179(116-49-15-8-16-50-116)145-65-37-61-135-131-57-27-35-69-155(131)183-165(135)145)92-138(112)164-162-126-54-24-18-40-108(126)94-148(168(162)186-170(150)164)178(122-84-88-130-128-56-26-32-64-142(128)174(3,4)144(130)102-122)117-79-75-103(76-80-117)105-71-73-111-97-149(176(114-45-11-6-12-46-114)120-86-90-158-140(100-120)134-60-30-34-68-154(134)182-158)169-163(137(111)91-105)161-125-53-23-17-39-107(125)93-147(167(161)185-169)175(113-43-9-5-10-44-113)119-85-89-157-139(99-119)133-59-29-33-67-153(133)181-157/h5-102H,1-4H3.

What are the key properties of 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine?

10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine has a molecular weight of 2396.83 g/mol, XLogP of 50.67, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 155082738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).