15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine

C78H49N3O2 — CID 147428587

IUPAC15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc3c(c4c2oc2ccccc24)c2c4oc5ccccc5c4c(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H49N3O2/c1-3-23-60(24-4-1)79(62-40-35-53(36-41-62)58-33-31-50-17-7-10-20-55(50)45-58)67-48-69-76(78-73(67)65-27-13-15-29-71(65)83-78)75-68(81(69)64-44-39-52-19-9-12-22-57(52)47-64)49-70(77-74(75)66-28-14-16-30-72(66)82-77)80(61-25-5-2-6-26-61)63-42-37-54(38-43-63)59-34-32-51-18-8-11-21-56(51)46-59/h1-49H
InChIKeyDTWJPSFCMDMWBC-UHFFFAOYSA-N
MW1060.27 g/mol
LogP22.32
Rot. Bonds9

About 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine

15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine (PubChem CID 147428587) has the molecular formula C78H49N3O2 and a molecular weight of 1060.27 g/mol. Its IUPAC name is 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine.

Molecular Properties

Compound Name15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine
PubChem CID147428587
Molecular FormulaC78H49N3O2
Molecular Weight1060.27 g/mol
Exact Mass1059.38
IUPAC Name15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc3c(c4c2oc2ccccc24)c2c4oc5ccccc5c4c(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C78H49N3O2/c1-3-23-60(24-4-1)79(62-40-35-53(36-41-62)58-33-31-50-17-7-10-20-55(50)45-58)67-48-69-76(78-73(67)65-27-13-15-29-71(65)83-78)75-68(81(69)64-44-39-52-19-9-12-22-57(52)47-64)49-70(77-74(75)66-28-14-16-30-72(66)82-77)80(61-25-5-2-6-26-61)63-42-37-54(38-43-63)59-34-32-51-18-8-11-21-56(51)46-59/h1-49H
InChIKeyDTWJPSFCMDMWBC-UHFFFAOYSA-N
XLogP22.32
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.27
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine with MolForge

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Related Compounds

12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N-bis[4-(4-tert-butylphenyl)phenyl]-15-naphthalen-2-yl-10,20-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 147761305
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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-dodecaene-12,18-diamine
CID 146523128
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 163468456
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine?
The IUPAC name of 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine (CID 147428587) is 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine.
What is the SMILES notation for 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine?
The canonical SMILES for 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc3c(c4c2oc2ccccc24)c2c4oc5ccccc5c4c(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine?
The InChIKey is DTWJPSFCMDMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49N3O2/c1-3-23-60(24-4-1)79(62-40-35-53(36-41-62)58-33-31-50-17-7-10-20-55(50)45-58)67-48-69-76(78-73(67)65-27-13-15-29-71(65)83-78)75-68(81(69)64-44-39-52-19-9-12-22-57(52)47-64)49-70(77-74(75)66-28-14-16-30-72(66)82-77)80(61-25-5-2-6-26-61)63-42-37-54(38-43-63)59-34-32-51-18-8-11-21-56(51)46-59/h1-49H.
What are the key properties of 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine?
15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine has a molecular weight of 1060.27 g/mol, XLogP of 22.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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-dodecaene-12,18-diamine is sourced from PubChem (CID 147428587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).