5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine

C22H20N2 — CID 142820657

IUPAC5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine
SMILESNc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(N)ccc1-3
InChIInChI=1S/C22H20N2/c23-17-5-7-19-13(9-17)1-3-15-11-22-16(12-21(15)19)4-2-14-10-18(24)6-8-20(14)22/h5-12H,1-4,23-24H2
InChIKeyDKMYWMCZRBNQJL-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.38
Rot. Bonds

About 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine

5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine (PubChem CID 142820657) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine.

Molecular Properties

Compound Name5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine
PubChem CID142820657
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine
SMILESNc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(N)ccc1-3
InChIInChI=1S/C22H20N2/c23-17-5-7-19-13(9-17)1-3-15-11-22-16(12-21(15)19)4-2-14-10-18(24)6-8-20(14)22/h5-12H,1-4,23-24H2
InChIKeyDKMYWMCZRBNQJL-UHFFFAOYSA-N
XLogP4.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-2,7-diamine
CID 10679
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58963008
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;hydrochloride
CID 91844882
1-propylidene-2,3-dihydroinden-5-amine
CID 79879504
1-prop-2-ynylidene-2,3-dihydroinden-5-amine
CID 79879291
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-diamine
CID 102170030
9H-fluorene-3,6-diamine
CID 23110770
9H-fluoren-2-amine;hydrobromide
CID 141482724
5,6-dihydrobenzo[b][1]benzoxepine-3,8-diamine
CID 68966932

Frequently Asked Questions

What is the IUPAC name of 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine?
The IUPAC name of 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine (CID 142820657) is 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine.
What is the SMILES notation for 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine?
The canonical SMILES for 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine is Nc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(N)ccc1-3.
What is the InChIKey of 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine?
The InChIKey is DKMYWMCZRBNQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c23-17-5-7-19-13(9-17)1-3-15-11-22-16(12-21(15)19)4-2-14-10-18(24)6-8-20(14)22/h5-12H,1-4,23-24H2.
What are the key properties of 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine?
5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine has a molecular weight of 312.42 g/mol, XLogP of 4.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,10-diamine is sourced from PubChem (CID 142820657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).