triphenylen-1-amine

C18H13N — CID 11139339

IUPACtriphenylen-1-amine
SMILESNc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2
InChIKeyWEHQTWMFKLIGEJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.73
Rot. Bonds

About triphenylen-1-amine

triphenylen-1-amine (PubChem CID 11139339) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is triphenylen-1-amine.

Molecular Properties

Compound Nametriphenylen-1-amine
PubChem CID11139339
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Nametriphenylen-1-amine
SMILESNc1cccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2
InChIKeyWEHQTWMFKLIGEJ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibenzoselenophen-1-amine
CID 164938107
nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
CID 135259743
CID 135259743
9-anthracen-9-ylanthracen-1-amine
CID 139789956
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
benzo[e]pyrene
CID 9128
9-methylanthracen-1-amine
CID 23131270
nonacyclo[20.6.4.02,7.08,30.09,14.015,31.016,21.023,28.029,32]dotriaconta-1(29),2,4,6,8(30),9,11,13,15(31),16,18,20,22(32),23,25,27-hexadecaene
CID 102166669
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051

Frequently Asked Questions

What is the IUPAC name of triphenylen-1-amine?
The IUPAC name of triphenylen-1-amine (CID 11139339) is triphenylen-1-amine.
What is the SMILES notation for triphenylen-1-amine?
The canonical SMILES for triphenylen-1-amine is Nc1cccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of triphenylen-1-amine?
The InChIKey is WEHQTWMFKLIGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H,19H2.
What are the key properties of triphenylen-1-amine?
triphenylen-1-amine has a molecular weight of 243.31 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylen-1-amine is sourced from PubChem (CID 11139339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).