N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine

C42H37NO — CID 174255268

IUPACN-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc3)CCCCCCC2)cc1
InChIInChI=1S/C42H37NO/c1-2-11-27-42(28-12-3-1,33-15-5-4-6-16-33)34-20-23-35(24-21-34)43(36-22-19-31-13-7-8-14-32(31)29-36)37-25-26-39-38-17-9-10-18-40(38)44-41(39)30-37/h4-10,13-26,29-30H,1-3,11-12,27-28H2
InChIKeyGYVNJFCGNMXDTG-UHFFFAOYSA-N
MW571.76 g/mol
LogP12.24
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine

N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine (PubChem CID 174255268) has the molecular formula C42H37NO and a molecular weight of 571.76 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
PubChem CID174255268
Molecular FormulaC42H37NO
Molecular Weight571.76 g/mol
Exact Mass571.29
IUPAC NameN-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc3)CCCCCCC2)cc1
InChIInChI=1S/C42H37NO/c1-2-11-27-42(28-12-3-1,33-15-5-4-6-16-33)34-20-23-35(24-21-34)43(36-22-19-31-13-7-8-14-32(31)29-36)37-25-26-39-38-17-9-10-18-40(38)44-41(39)30-37/h4-10,13-26,29-30H,1-3,11-12,27-28H2
InChIKeyGYVNJFCGNMXDTG-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.76
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255001
N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255082
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255291
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255025
N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 174254843
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087784

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine (CID 174255268) is N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc3)CCCCCCC2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The InChIKey is GYVNJFCGNMXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37NO/c1-2-11-27-42(28-12-3-1,33-15-5-4-6-16-33)34-20-23-35(24-21-34)43(36-22-19-31-13-7-8-14-32(31)29-36)37-25-26-39-38-17-9-10-18-40(38)44-41(39)30-37/h4-10,13-26,29-30H,1-3,11-12,27-28H2.
What are the key properties of N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine has a molecular weight of 571.76 g/mol, XLogP of 12.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 174255268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).