N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine

C50H31NO — CID 177100644

IUPACN-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4cc5ccccc5c5c4ccc4ccc6ccccc6c45)ccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H31NO/c1-2-15-37(16-3-1)51(46-20-10-14-32-11-4-7-17-39(32)46)38-25-28-43-42-26-24-36(30-47(42)52-48(43)31-38)45-29-35-13-6-9-19-41(35)50-44(45)27-23-34-22-21-33-12-5-8-18-40(33)49(34)50/h1-31H
InChIKeyRMBMMNHGFCEVOM-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.49
Rot. Bonds4

About N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine

N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 177100644) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
PubChem CID177100644
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC NameN-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4cc5ccccc5c5c4ccc4ccc6ccccc6c45)ccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H31NO/c1-2-15-37(16-3-1)51(46-20-10-14-32-11-4-7-17-39(32)46)38-25-28-43-42-26-24-36(30-47(42)52-48(43)31-38)45-29-35-13-6-9-19-41(35)50-44(45)27-23-34-22-21-33-12-5-8-18-40(33)49(34)50/h1-31H
InChIKeyRMBMMNHGFCEVOM-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 177100347
N-dibenzofuran-3-yl-N-[4-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)phenyl]dibenzofuran-3-amine
CID 177100430
N-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177100565
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-3-phenylaniline
CID 177100631
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine (CID 177100644) is N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2cc(-c4cc5ccccc5c5c4ccc4ccc6ccccc6c45)ccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is RMBMMNHGFCEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-2-15-37(16-3-1)51(46-20-10-14-32-11-4-7-17-39(32)46)38-25-28-43-42-26-24-36(30-47(42)52-48(43)31-38)45-29-35-13-6-9-19-41(35)50-44(45)27-23-34-22-21-33-12-5-8-18-40(33)49(34)50/h1-31H.
What are the key properties of N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine?
N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 661.80 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 177100644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).