18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C113H75N7O2 — CID 163659368

IUPAC18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCc1cccc(N(c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c1
InChIInChI=1S/C113H75N7O2/c1-70-25-20-36-77(63-70)114(80-47-51-92-102(66-80)117(73-28-8-4-9-29-73)96-59-55-88-86(108(92)96)57-61-98-110(88)94-53-49-82(68-104(94)119(98)75-32-12-6-13-33-75)115(78-37-21-26-71(2)64-78)100-43-23-41-90-84-39-16-18-45-106(84)121-112(90)100)81-48-52-93-103(67-81)118(74-30-10-5-11-31-74)97-60-56-89-87(109(93)97)58-62-99-111(89)95-54-50-83(69-105(95)120(99)76-34-14-7-15-35-76)116(79-38-22-27-72(3)65-79)101-44-24-42-91-85-40-17-19-46-107(85)122-113(91)101/h4-69H,1-3H3
InChIKeyITBANZZQHDEBEF-UHFFFAOYSA-N
MW1562.89 g/mol
LogP31.51
Rot. Bonds13

About 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 163659368) has the molecular formula C113H75N7O2 and a molecular weight of 1562.89 g/mol. Its IUPAC name is 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID163659368
Molecular FormulaC113H75N7O2
Molecular Weight1562.89 g/mol
Exact Mass1561.60
IUPAC Name18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCc1cccc(N(c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c1
InChIInChI=1S/C113H75N7O2/c1-70-25-20-36-77(63-70)114(80-47-51-92-102(66-80)117(73-28-8-4-9-29-73)96-59-55-88-86(108(92)96)57-61-98-110(88)94-53-49-82(68-104(94)119(98)75-32-12-6-13-33-75)115(78-37-21-26-71(2)64-78)100-43-23-41-90-84-39-16-18-45-106(84)121-112(90)100)81-48-52-93-103(67-81)118(74-30-10-5-11-31-74)97-60-56-89-87(109(93)97)58-62-99-111(89)95-54-50-83(69-105(95)120(99)76-34-14-7-15-35-76)116(79-38-22-27-72(3)65-79)101-44-24-42-91-85-40-17-19-46-107(85)122-113(91)101/h4-69H,1-3H3
InChIKeyITBANZZQHDEBEF-UHFFFAOYSA-N
XLogP31.51
TPSA55.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.89
LogP ≤ 531.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 163492549
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549038
N-dibenzofuran-4-yl-5-naphthalen-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009921
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
CID 90050679
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
CID 163896520
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972

Frequently Asked Questions

What is the IUPAC name of 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 163659368) is 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is Cc1cccc(N(c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c2ccc3c4c5ccc6c(c5ccc4n(-c4ccccc4)c3c2)c2ccc(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)cc2n6-c2ccccc2)c1.
What is the InChIKey of 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is ITBANZZQHDEBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H75N7O2/c1-70-25-20-36-77(63-70)114(80-47-51-92-102(66-80)117(73-28-8-4-9-29-73)96-59-55-88-86(108(92)96)57-61-98-110(88)94-53-49-82(68-104(94)119(98)75-32-12-6-13-33-75)115(78-37-21-26-71(2)64-78)100-43-23-41-90-84-39-16-18-45-106(84)121-112(90)100)81-48-52-93-103(67-81)118(74-30-10-5-11-31-74)97-60-56-89-87(109(93)97)58-62-99-111(89)95-54-50-83(69-105(95)120(99)76-34-14-7-15-35-76)116(79-38-22-27-72(3)65-79)101-44-24-42-91-85-40-17-19-46-107(85)122-113(91)101/h4-69H,1-3H3.
What are the key properties of 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 1562.89 g/mol, XLogP of 31.51, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 163659368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).