N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine

C50H29NO — CID 167413042

IUPACN-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1
InChIInChI=1S/C50H29NO/c1-2-14-37-30(9-1)10-8-19-44(37)51(35-25-26-46-42(28-35)38-15-3-4-20-45(38)52-46)36-27-34-24-23-33-12-6-17-40-39-16-5-11-31-21-22-32-13-7-18-41(49(32)47(31)39)43(29-36)50(34)48(33)40/h1-29H/b40-39-,43-41-
InChIKeyOFWNJNYPZKILCV-XWPYRHCUSA-N
MW659.79 g/mol
LogP14.57
Rot. Bonds3

About N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine

N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 167413042) has the molecular formula C50H29NO and a molecular weight of 659.79 g/mol. Its IUPAC name is N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
PubChem CID167413042
Molecular FormulaC50H29NO
Molecular Weight659.79 g/mol
Exact Mass659.22
IUPAC NameN-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1
InChIInChI=1S/C50H29NO/c1-2-14-37-30(9-1)10-8-19-44(37)51(35-25-26-46-42(28-35)38-15-3-4-20-45(38)52-46)36-27-34-24-23-33-12-6-17-40-39-16-5-11-31-21-22-32-13-7-18-41(49(32)47(31)39)43(29-36)50(34)48(33)40/h1-29H/b40-39-,43-41-
InChIKeyOFWNJNYPZKILCV-XWPYRHCUSA-N
XLogP14.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412431
N-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167410701
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412346
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-phenyldibenzofuran-4-amine
CID 167412634
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411960
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089

Frequently Asked Questions

What is the IUPAC name of N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine?
The IUPAC name of N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine (CID 167413042) is N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine.
What is the SMILES notation for N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine?
The canonical SMILES for N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine is c1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cccc2c1.
What is the InChIKey of N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine?
The InChIKey is OFWNJNYPZKILCV-XWPYRHCUSA-N. The full InChI is InChI=1S/C50H29NO/c1-2-14-37-30(9-1)10-8-19-44(37)51(35-25-26-46-42(28-35)38-15-3-4-20-45(38)52-46)36-27-34-24-23-33-12-6-17-40-39-16-5-11-31-21-22-32-13-7-18-41(49(32)47(31)39)43(29-36)50(34)48(33)40/h1-29H/b40-39-,43-41-.
What are the key properties of N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine?
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 659.79 g/mol, XLogP of 14.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 167413042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).