18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C71H52N2O — CID 171404359

IUPAC18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5cccc6c5C57c8c(cccc8N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)CC5CCC7C6)cc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C71H52N2O/c1-4-16-47(17-5-1)48-30-32-51(33-31-48)68-60-25-11-10-18-49(60)36-42-61(68)50-34-39-58(40-35-50)72(56-21-6-2-7-22-56)64-27-14-19-52-44-54-37-38-55-45-53-20-15-28-65(70(53)71(54,55)69(52)64)73(57-23-8-3-9-24-57)59-41-43-63-62-26-12-13-29-66(62)74-67(63)46-59/h1-36,39-43,46,54-55H,37-38,44-45H2
InChIKeyRQEGQUSIXUYIEF-UHFFFAOYSA-N
MW949.21 g/mol
LogP19.10
Rot. Bonds9

About 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404359) has the molecular formula C71H52N2O and a molecular weight of 949.21 g/mol. Its IUPAC name is 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404359
Molecular FormulaC71H52N2O
Molecular Weight949.21 g/mol
Exact Mass948.41
IUPAC Name18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5cccc6c5C57c8c(cccc8N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)CC5CCC7C6)cc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C71H52N2O/c1-4-16-47(17-5-1)48-30-32-51(33-31-48)68-60-25-11-10-18-49(60)36-42-61(68)50-34-39-58(40-35-50)72(56-21-6-2-7-22-56)64-27-14-19-52-44-54-37-38-55-45-53-20-15-28-65(70(53)71(54,55)69(52)64)73(57-23-8-3-9-24-57)59-41-43-63-62-26-12-13-29-66(62)74-67(63)46-59/h1-36,39-43,46,54-55H,37-38,44-45H2
InChIKeyRQEGQUSIXUYIEF-UHFFFAOYSA-N
XLogP19.10
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.21
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404250
18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404347
3-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171403964
18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404372
18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
CID 171403910
18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404354
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817

Frequently Asked Questions

What is the IUPAC name of 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404359) is 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccccc5)c5cccc6c5C57c8c(cccc8N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)CC5CCC7C6)cc4)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is RQEGQUSIXUYIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N2O/c1-4-16-47(17-5-1)48-30-32-51(33-31-48)68-60-25-11-10-18-49(60)36-42-61(68)50-34-39-58(40-35-50)72(56-21-6-2-7-22-56)64-27-14-19-52-44-54-37-38-55-45-53-20-15-28-65(70(53)71(54,55)69(52)64)73(57-23-8-3-9-24-57)59-41-43-63-62-26-12-13-29-66(62)74-67(63)46-59/h1-36,39-43,46,54-55H,37-38,44-45H2.
What are the key properties of 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 949.21 g/mol, XLogP of 19.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).