10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

C136H82N4O4S2 — CID 155083460

IUPAC10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3cc4ccccc4c4c3sc3c(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5cccc(-c7ccc8oc9c(N(c%10ccccc%10-c%10ccccc%10)c%10cc%11ccccc%11c%11c%10sc%10c(N(c%12ccccc%12-c%12ccccc%12)c%12cccc%13c%12oc%12ccccc%12%13)cc%12ccccc%12c%10%11)cccc9c8c7)c56)cc5ccccc5c34)c2)cc1
InChIInChI=1S/C136H82N4O4S2/c1-5-36-83(37-6-1)87-48-29-50-94(76-87)137(112-67-31-61-105-103-58-23-27-71-120(103)141-129(105)112)116-79-89-44-13-17-54-99(89)125-126-100-55-18-14-45-90(100)80-117(134(126)145-133(116)125)138(95-51-30-49-88(77-95)84-38-7-2-8-39-84)113-68-34-64-108-124-98(60-35-73-123(124)144-132(108)113)93-74-75-122-109(78-93)107-63-33-70-115(131(107)143-122)140(111-66-26-22-53-97(111)86-42-11-4-12-43-86)119-82-92-47-16-20-57-102(92)128-127-101-56-19-15-46-91(101)81-118(135(127)146-136(119)128)139(110-65-25-21-52-96(110)85-40-9-3-10-41-85)114-69-32-62-106-104-59-24-28-72-121(104)142-130(106)114/h1-82H
InChIKeyZAXPDGJDXLJEPK-UHFFFAOYSA-N
MW1900.31 g/mol
LogP40.85
Rot. Bonds17

About 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 155083460) has the molecular formula C136H82N4O4S2 and a molecular weight of 1900.31 g/mol. Its IUPAC name is 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

Compound Name10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
PubChem CID155083460
Molecular FormulaC136H82N4O4S2
Molecular Weight1900.31 g/mol
Exact Mass1898.58
IUPAC Name10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3cc4ccccc4c4c3sc3c(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5cccc(-c7ccc8oc9c(N(c%10ccccc%10-c%10ccccc%10)c%10cc%11ccccc%11c%11c%10sc%10c(N(c%12ccccc%12-c%12ccccc%12)c%12cccc%13c%12oc%12ccccc%12%13)cc%12ccccc%12c%10%11)cccc9c8c7)c56)cc5ccccc5c34)c2)cc1
InChIInChI=1S/C136H82N4O4S2/c1-5-36-83(37-6-1)87-48-29-50-94(76-87)137(112-67-31-61-105-103-58-23-27-71-120(103)141-129(105)112)116-79-89-44-13-17-54-99(89)125-126-100-55-18-14-45-90(100)80-117(134(126)145-133(116)125)138(95-51-30-49-88(77-95)84-38-7-2-8-39-84)113-68-34-64-108-124-98(60-35-73-123(124)144-132(108)113)93-74-75-122-109(78-93)107-63-33-70-115(131(107)143-122)140(111-66-26-22-53-97(111)86-42-11-4-12-43-86)119-82-92-47-16-20-57-102(92)128-127-101-56-19-15-46-91(101)81-118(135(127)146-136(119)128)139(110-65-25-21-52-96(110)85-40-9-3-10-41-85)114-69-32-62-106-104-59-24-28-72-121(104)142-130(106)114/h1-82H
InChIKeyZAXPDGJDXLJEPK-UHFFFAOYSA-N
XLogP40.85
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001900.31
LogP ≤ 540.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine with MolForge

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Related Compounds

N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159224268
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The IUPAC name of 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 155083460) is 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
What is the SMILES notation for 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The canonical SMILES for 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is c1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3cc4ccccc4c4c3sc3c(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5cccc(-c7ccc8oc9c(N(c%10ccccc%10-c%10ccccc%10)c%10cc%11ccccc%11c%11c%10sc%10c(N(c%12ccccc%12-c%12ccccc%12)c%12cccc%13c%12oc%12ccccc%12%13)cc%12ccccc%12c%10%11)cccc9c8c7)c56)cc5ccccc5c34)c2)cc1.
What is the InChIKey of 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The InChIKey is ZAXPDGJDXLJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H82N4O4S2/c1-5-36-83(37-6-1)87-48-29-50-94(76-87)137(112-67-31-61-105-103-58-23-27-71-120(103)141-129(105)112)116-79-89-44-13-17-54-99(89)125-126-100-55-18-14-45-90(100)80-117(134(126)145-133(116)125)138(95-51-30-49-88(77-95)84-38-7-2-8-39-84)113-68-34-64-108-124-98(60-35-73-123(124)144-132(108)113)93-74-75-122-109(78-93)107-63-33-70-115(131(107)143-122)140(111-66-26-22-53-97(111)86-42-11-4-12-43-86)119-82-92-47-16-20-57-102(92)128-127-101-56-19-15-46-91(101)81-118(135(127)146-136(119)128)139(110-65-25-21-52-96(110)85-40-9-3-10-41-85)114-69-32-62-106-104-59-24-28-72-121(104)142-130(106)114/h1-82H.
What are the key properties of 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 1900.31 g/mol, XLogP of 40.85, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[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]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 155083460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).