7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine — IUPAC name, SMILES, InChIKey & properties

Name: 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine

7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 167275392) has the molecular formula C154H102N4O8 and a molecular weight of 2136.53 g/mol. Its IUPAC name is 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

Molecular Properties

Compound Name	7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine
PubChem CID	167275392
Molecular Formula	C154H102N4O8
Molecular Weight	2136.53 g/mol
Exact Mass	2134.77
IUPAC Name	7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine
SMILES	CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5c3oc3ccccc35)C4(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4c(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc6c(c45)-c4c(cc(N(c5ccccc5)c5cccc7c5oc5ccccc57)c5c4oc4ccccc45)C6(c4ccccc4)c4ccccc4)c3)cccc12
InChI	InChI=1S/C154H102N4O8/c1-151(2,3)113-72-39-66-105-107-70-43-76-121(145(107)165-141(105)113)156(98-55-22-11-23-56-98)124-88-118-140(150-134(124)110-64-31-36-81-130(110)163-150)138-116(90-125(147-135(138)111-65-32-37-82-131(111)161-147)158(100-59-26-13-27-60-100)122-77-44-71-108-106-67-40-73-114(152(4,5)6)142(106)166-146(108)122)154(118,95-50-18-9-19-51-95)96-52-38-45-91(85-96)92-83-84-112-132(86-92)164-148-126(157(99-57-24-12-25-58-99)120-75-42-69-104-102-62-29-34-79-128(102)160-144(104)120)89-115-137(136(112)148)139-117(153(115,93-46-14-7-15-47-93)94-48-16-8-17-49-94)87-123(133-109-63-30-35-80-129(109)162-149(133)139)155(97-53-20-10-21-54-97)119-74-41-68-103-101-61-28-33-78-127(101)159-143(103)119/h7-90H,1-6H3
InChIKey	ZMHQXQMQGRODFI-UHFFFAOYSA-N
XLogP	43.75
TPSA	118.08 Å²
H-Bond Donors
H-Bond Acceptors	12
Rotatable Bonds	17
Heavy Atoms	166
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.53
LogP ≤ 5	43.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Analyze 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The IUPAC name of 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 167275392) is 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine.

What is the SMILES notation for 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The canonical SMILES for 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5c3oc3ccccc35)-c3c(cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5c3oc3ccccc35)C4(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4c(N(c6ccccc6)c6cccc7c6oc6ccccc67)cc6c(c45)-c4c(cc(N(c5ccccc5)c5cccc7c5oc5ccccc57)c5c4oc4ccccc45)C6(c4ccccc4)c4ccccc4)c3)cccc12.

What is the InChIKey of 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

The InChIKey is ZMHQXQMQGRODFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H102N4O8/c1-151(2,3)113-72-39-66-105-107-70-43-76-121(145(107)165-141(105)113)156(98-55-22-11-23-56-98)124-88-118-140(150-134(124)110-64-31-36-81-130(110)163-150)138-116(90-125(147-135(138)111-65-32-37-82-131(111)161-147)158(100-59-26-13-27-60-100)122-77-44-71-108-106-67-40-73-114(152(4,5)6)142(106)166-146(108)122)154(118,95-50-18-9-19-51-95)96-52-38-45-91(85-96)92-83-84-112-132(86-92)164-148-126(157(99-57-24-12-25-58-99)120-75-42-69-104-102-62-29-34-79-128(102)160-144(104)120)89-115-137(136(112)148)139-117(153(115,93-46-14-7-15-47-93)94-48-16-8-17-49-94)87-123(133-109-63-30-35-80-129(109)162-149(133)139)155(97-53-20-10-21-54-97)119-74-41-68-103-101-61-28-33-78-127(101)159-143(103)119/h7-90H,1-6H3.

What are the key properties of 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine?

Where does this data come from?

All data for 7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 167275392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).