N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine

C159H96N6O4 — CID 167167000

About N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine (PubChem CID 167167000) has the molecular formula C159H96N6O4 and a molecular weight of 2154.55 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine
• PubChem CID: 167167000
• Molecular Formula: C159H96N6O4
• Molecular Weight: 2154.55 g/mol
• Exact Mass: 2152.75
• IUPAC Name: N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccc5c(oc6ccc(-c7ccc8c9cccc%10c9n(c8c7)-c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7-c7ccc8c(oc9ccc(-c%11ccc%12c%13cccc%14c%13n(c%12c%11)-c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccc(-c%15ccccc%15)cc%13)cc%12)cc%11-c%11ccc%12c(oc%13ccccc%13%12)c%11-%14)cc98)c7-%10)cc65)c3-c3cccc5c6ccccc6n-4c35)c3cccc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C159H96N6O4/c1-159(2)136-46-19-15-35-111(136)112-73-69-110(92-137(112)159)162(142-48-26-42-124-116-37-17-21-49-145(116)166-155(124)142)109-70-82-141-133(91-109)120-76-79-127-135-88-100(62-84-148(135)169-158(127)151(120)128-43-23-39-121-113-36-16-20-47-138(113)163(141)152(121)128)102-58-72-115-123-41-25-45-130-150-119(132-86-98(60-81-140(132)165(154(123)130)144(115)90-102)95-53-65-106(66-54-95)160(103-29-9-4-10-30-103)104-31-11-5-12-32-104)75-78-126-134-87-99(61-83-147(134)168-157(126)150)101-57-71-114-122-40-24-44-129-149-118(74-77-125-117-38-18-22-50-146(117)167-156(125)149)131-85-97(59-80-139(131)164(153(122)129)143(114)89-101)96-55-67-108(68-56-96)161(105-33-13-6-14-34-105)107-63-51-94(52-64-107)93-27-7-3-8-28-93/h3-92H,1-2H3
• InChIKey: KPKHNJRTUITRQE-UHFFFAOYSA-N
• XLogP: 44.57
• TPSA: 77.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2154.55
LogP ≤ 5	44.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine (CID 167167000) is N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccc5c(oc6ccc(-c7ccc8c9cccc%10c9n(c8c7)-c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7-c7ccc8c(oc9ccc(-c%11ccc%12c%13cccc%14c%13n(c%12c%11)-c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccc(-c%15ccccc%15)cc%13)cc%12)cc%11-c%11ccc%12c(oc%13ccccc%13%12)c%11-%14)cc98)c7-%10)cc65)c3-c3cccc5c6ccccc6n-4c35)c3cccc4c3oc3ccccc34)cc21.

What is the InChIKey of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine?

The InChIKey is KPKHNJRTUITRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C159H96N6O4/c1-159(2)136-46-19-15-35-111(136)112-73-69-110(92-137(112)159)162(142-48-26-42-124-116-37-17-21-49-145(116)166-155(124)142)109-70-82-141-133(91-109)120-76-79-127-135-88-100(62-84-148(135)169-158(127)151(120)128-43-23-39-121-113-36-16-20-47-138(113)163(141)152(121)128)102-58-72-115-123-41-25-45-130-150-119(132-86-98(60-81-140(132)165(154(123)130)144(115)90-102)95-53-65-106(66-54-95)160(103-29-9-4-10-30-103)104-31-11-5-12-32-104)75-78-126-134-87-99(61-83-147(134)168-157(126)150)101-57-71-114-122-40-24-44-129-149-118(74-77-125-117-38-18-22-50-146(117)167-156(125)149)131-85-97(59-80-139(131)164(153(122)129)143(114)89-101)96-55-67-108(68-56-96)161(105-33-13-6-14-34-105)107-63-51-94(52-64-107)93-27-7-3-8-28-93/h3-92H,1-2H3.

What are the key properties of N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine?

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine has a molecular weight of 2154.55 g/mol, XLogP of 44.57, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-8-[17-[4-(N-phenylanilino)phenyl]-8-[17-[4-(N-(4-phenylphenyl)anilino)phenyl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22(27),23,25,28(32),29-pentadecaen-24-yl]-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaen-17-amine is sourced from PubChem (CID 167167000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).