N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline

C50H33N — CID 58511216

IUPACN,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6ccc7c(ccc8c9ccccc9ccc87)c6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C50H33N/c1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-25-21-34(22-26-44)37-17-18-39-32-40(20-19-38(39)31-37)41-16-15-36-24-28-48-47-27-23-35-9-7-8-14-45(35)46(47)29-30-49(48)50(36)33-41/h1-33H
InChIKeyNSHDUNCSVBMMSR-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline

N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline (PubChem CID 58511216) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
PubChem CID58511216
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6ccc7c(ccc8c9ccccc9ccc87)c6c5)ccc4c3)cc2)cc1
InChIInChI=1S/C50H33N/c1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-25-21-34(22-26-44)37-17-18-39-32-40(20-19-38(39)31-37)41-16-15-36-24-28-48-47-27-23-35-9-7-8-14-45(35)46(47)29-30-49(48)50(36)33-41/h1-33H
InChIKeyNSHDUNCSVBMMSR-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline;N,N-diphenyl-4-(6-picen-3-ylnaphthalen-2-yl)aniline;4-[6-(11-heptacyclo[16.12.0.02,15.03,8.09,14.019,28.022,27]triaconta-1(18),2(15),3,5,7,9(14),10,12,16,19(28),20,22,24,26,29-pentadecaenyl)naphthalen-2-yl]-N,N-diphenylaniline;4-[6-(9-hexacyclo[12.12.0.02,11.03,8.015,24.018,23]hexacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22,25-tridecaenyl)naphthalen-2-yl]-N,N-diphenylaniline
CID 158486221
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 170136400
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline (CID 58511216) is N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(-c5ccc6ccc7c(ccc8c9ccccc9ccc87)c6c5)ccc4c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline?
The InChIKey is NSHDUNCSVBMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-3-10-42(11-4-1)51(43-12-5-2-6-13-43)44-25-21-34(22-26-44)37-17-18-39-32-40(20-19-38(39)31-37)41-16-15-36-24-28-48-47-27-23-35-9-7-8-14-45(35)46(47)29-30-49(48)50(36)33-41/h1-33H.
What are the key properties of N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline?
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline is sourced from PubChem (CID 58511216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).