9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

C104H70N4O2 — CID 163713096

IUPAC9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4cc(-c5cc6ccccc6o5)ccc4c3)c3ccc4c(ccc5c6cc7c(cc6n(-c6ccccc6)c45)c4ccc5cc(N(c6ccc8c(c6)C(C)(C)c6ccccc6-8)c6ccc8cc(-c9cc%10ccccc%10o9)ccc8c6)ccc5c4n7-c4ccccc4)c3)ccc21
InChIInChI=1S/C104H70N4O2/c1-103(2)92-28-16-14-26-84(92)88-59-79(44-50-93(88)103)105(75-39-35-63-51-71(33-31-65(63)53-75)99-57-69-19-11-17-29-97(69)109-99)77-41-47-81-67(55-77)37-45-86-89-61-96-90(62-95(89)107(101(81)86)73-21-7-5-8-22-73)87-46-38-68-56-78(42-48-82(68)102(87)108(96)74-23-9-6-10-24-74)106(80-43-49-85-83-25-13-15-27-91(83)104(3,4)94(85)60-80)76-40-36-64-52-72(34-32-66(64)54-76)100-58-70-20-12-18-30-98(70)110-100/h5-62H,1-4H3
InChIKeyKKZTUGXREAAJCW-UHFFFAOYSA-N
MW1407.73 g/mol
LogP28.87
Rot. Bonds10

About 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (PubChem CID 163713096) has the molecular formula C104H70N4O2 and a molecular weight of 1407.73 g/mol. Its IUPAC name is 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
PubChem CID163713096
Molecular FormulaC104H70N4O2
Molecular Weight1407.73 g/mol
Exact Mass1406.55
IUPAC Name9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4cc(-c5cc6ccccc6o5)ccc4c3)c3ccc4c(ccc5c6cc7c(cc6n(-c6ccccc6)c45)c4ccc5cc(N(c6ccc8c(c6)C(C)(C)c6ccccc6-8)c6ccc8cc(-c9cc%10ccccc%10o9)ccc8c6)ccc5c4n7-c4ccccc4)c3)ccc21
InChIInChI=1S/C104H70N4O2/c1-103(2)92-28-16-14-26-84(92)88-59-79(44-50-93(88)103)105(75-39-35-63-51-71(33-31-65(63)53-75)99-57-69-19-11-17-29-97(69)109-99)77-41-47-81-67(55-77)37-45-86-89-61-96-90(62-95(89)107(101(81)86)73-21-7-5-8-22-73)87-46-38-68-56-78(42-48-82(68)102(87)108(96)74-23-9-6-10-24-74)106(80-43-49-85-83-25-13-15-27-91(83)104(3,4)94(85)60-80)76-40-36-64-52-72(34-32-66(64)54-76)100-58-70-20-12-18-30-98(70)110-100/h5-62H,1-4H3
InChIKeyKKZTUGXREAAJCW-UHFFFAOYSA-N
XLogP28.87
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001407.73
LogP ≤ 528.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 118405626
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847479
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
N-(9,9-dimethylfluoren-2-yl)-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 174305786
9,9-dimethyl-N-[4-(6-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 174306467
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 122487904
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine
CID 118405644
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;11-(4-naphthalen-2-ylphenyl)-N,N-diphenylbenzo[a]carbazol-2-amine
CID 161447502

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (CID 163713096) is 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccc4cc(-c5cc6ccccc6o5)ccc4c3)c3ccc4c(ccc5c6cc7c(cc6n(-c6ccccc6)c45)c4ccc5cc(N(c6ccc8c(c6)C(C)(C)c6ccccc6-8)c6ccc8cc(-c9cc%10ccccc%10o9)ccc8c6)ccc5c4n7-c4ccccc4)c3)ccc21.
What is the InChIKey of 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The InChIKey is KKZTUGXREAAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H70N4O2/c1-103(2)92-28-16-14-26-84(92)88-59-79(44-50-93(88)103)105(75-39-35-63-51-71(33-31-65(63)53-75)99-57-69-19-11-17-29-97(69)109-99)77-41-47-81-67(55-77)37-45-86-89-61-96-90(62-95(89)107(101(81)86)73-21-7-5-8-22-73)87-46-38-68-56-78(42-48-82(68)102(87)108(96)74-23-9-6-10-24-74)106(80-43-49-85-83-25-13-15-27-91(83)104(3,4)94(85)60-80)76-40-36-64-52-72(34-32-66(64)54-76)100-58-70-20-12-18-30-98(70)110-100/h5-62H,1-4H3.
What are the key properties of 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine has a molecular weight of 1407.73 g/mol, XLogP of 28.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis[6-(1-benzofuran-2-yl)naphthalen-2-yl]-23-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-14,28-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is sourced from PubChem (CID 163713096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).