N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline

C122H81N3 — CID 160707555

IUPACN,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)ccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/2C44H29N.C34H23N/c1-3-11-33-26-38(22-19-30(33)9-1)45(39-23-20-31-10-2-4-12-34(31)27-39)40-24-21-32-17-18-36(25-37(32)28-40)44-29-35-13-5-6-14-41(35)42-15-7-8-16-43(42)44;1-3-11-32-26-38(22-19-30(32)9-1)45(39-23-20-31-10-2-4-12-33(31)27-39)40-24-21-34-25-37(18-17-35(34)28-40)44-29-36-13-5-6-14-41(36)42-15-7-8-16-43(42)44;1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-16-9-11-24(23-27)28-21-22-33-30-18-8-7-17-29(30)32-20-10-19-31(28)34(32)33/h2*1-29H;1-23H
InChIKeyRRKPEIRUICAKPP-UHFFFAOYSA-N
MW1589.01 g/mol
LogP34.80
Rot. Bonds12

About N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline

N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline (PubChem CID 160707555) has the molecular formula C122H81N3 and a molecular weight of 1589.01 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
PubChem CID160707555
Molecular FormulaC122H81N3
Molecular Weight1589.01 g/mol
Exact Mass1587.64
IUPAC NameN,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)ccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/2C44H29N.C34H23N/c1-3-11-33-26-38(22-19-30(33)9-1)45(39-23-20-31-10-2-4-12-34(31)27-39)40-24-21-32-17-18-36(25-37(32)28-40)44-29-35-13-5-6-14-41(35)42-15-7-8-16-43(42)44;1-3-11-32-26-38(22-19-30(32)9-1)45(39-23-20-31-10-2-4-12-33(31)27-39)40-24-21-34-25-37(18-17-35(34)28-40)44-29-36-13-5-6-14-41(36)42-15-7-8-16-43(42)44;1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-16-9-11-24(23-27)28-21-22-33-30-18-8-7-17-29(30)32-20-10-19-31(28)34(32)33/h2*1-29H;1-23H
InChIKeyRRKPEIRUICAKPP-UHFFFAOYSA-N
XLogP34.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001589.01
LogP ≤ 534.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline?
The IUPAC name of N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline (CID 160707555) is N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline.
What is the SMILES notation for N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline?
The canonical SMILES for N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)ccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c3)ccc2c1.
What is the InChIKey of N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline?
The InChIKey is RRKPEIRUICAKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H29N.C34H23N/c1-3-11-33-26-38(22-19-30(33)9-1)45(39-23-20-31-10-2-4-12-34(31)27-39)40-24-21-32-17-18-36(25-37(32)28-40)44-29-35-13-5-6-14-41(35)42-15-7-8-16-43(42)44;1-3-11-32-26-38(22-19-30(32)9-1)45(39-23-20-31-10-2-4-12-33(31)27-39)40-24-21-34-25-37(18-17-35(34)28-40)44-29-36-13-5-6-14-41(36)42-15-7-8-16-43(42)44;1-3-12-25(13-4-1)35(26-14-5-2-6-15-26)27-16-9-11-24(23-27)28-21-22-33-30-18-8-7-17-29(30)32-20-10-19-31(28)34(32)33/h2*1-29H;1-23H.
What are the key properties of N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline?
N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline has a molecular weight of 1589.01 g/mol, XLogP of 34.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline is sourced from PubChem (CID 160707555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).