4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline

C44H30N2 — CID 171053057

IUPAC4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline
SMILESNc1ccc(-c2ccccc2-c2ccc3c4ccc(-c5ccccc5-c5ccc(N)cc5)c5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C44H30N2/c45-29-19-15-27(16-20-29)31-7-1-3-9-33(31)35-23-25-41-42-26-24-36(34-10-4-2-8-32(34)28-17-21-30(46)22-18-28)38-12-6-14-40(44(38)42)39-13-5-11-37(35)43(39)41/h1-26H,45-46H2
InChIKeyMXQBBWDHQKDJMN-UHFFFAOYSA-N
MW586.74 g/mol
LogP11.57
Rot. Bonds4

About 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline

4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline (PubChem CID 171053057) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline
PubChem CID171053057
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline
SMILESNc1ccc(-c2ccccc2-c2ccc3c4ccc(-c5ccccc5-c5ccc(N)cc5)c5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C44H30N2/c45-29-19-15-27(16-20-29)31-7-1-3-9-33(31)35-23-25-41-42-26-24-36(34-10-4-2-8-32(34)28-17-21-30(46)22-18-28)38-12-6-14-40(44(38)42)39-13-5-11-37(35)43(39)41/h1-26H,45-46H2
InChIKeyMXQBBWDHQKDJMN-UHFFFAOYSA-N
XLogP11.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylphenyl)perylene
CID 174610298
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
4-(4-chloronaphthalen-1-yl)aniline
CID 79597038
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
7,17,27-tris(4-phenylphenyl)heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3(8),4,6,9,11,13(18),14,16,19,21,23(28),24,26,29-pentadecaene
CID 139812806
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
CID 59391228
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
CID 143920789
CID 143920789
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
4-anthracen-1-ylaniline
CID 18974595

Frequently Asked Questions

What is the IUPAC name of 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline?
The IUPAC name of 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline (CID 171053057) is 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline.
What is the SMILES notation for 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline?
The canonical SMILES for 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline is Nc1ccc(-c2ccccc2-c2ccc3c4ccc(-c5ccccc5-c5ccc(N)cc5)c5cccc(c6cccc2c63)c54)cc1.
What is the InChIKey of 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline?
The InChIKey is MXQBBWDHQKDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c45-29-19-15-27(16-20-29)31-7-1-3-9-33(31)35-23-25-41-42-26-24-36(34-10-4-2-8-32(34)28-17-21-30(46)22-18-28)38-12-6-14-40(44(38)42)39-13-5-11-37(35)43(39)41/h1-26H,45-46H2.
What are the key properties of 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline?
4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline has a molecular weight of 586.74 g/mol, XLogP of 11.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[10-[2-(4-aminophenyl)phenyl]perylen-3-yl]phenyl]aniline is sourced from PubChem (CID 171053057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).